Nitrogen-containing polycyclic fused ring compound, pharmaceutical composition thereof, preparation method therefor, and use thereof

A compound represented by formula I, or a stereoisomer, a racemate, a tautomer, an isotopically labeled compound, a nitrogen oxide or a pharmaceutically acceptable salt thereof:

• wherein Q is selected from
• X1, X2, X3, X4, X5, X6, and X7 are identical or different, and are independently selected from CR1 and N;
• X8 is selected from CR1R1′ and NR1;
• wherein each R1 and R1′ is identical or different, and is independently selected from H, halogen, CN, OH, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Ra:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• A is selected from H, halogen, CN, OH, NH2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rb:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• D and E are identical or different, and are independently selected from H, halogen, CN, OH, B(OH)2, —C(O)R4, —OCR5, —S(O)2R6, OS(O)2R7, —O—R21, C(O)OR22, —P(O)R23R24, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from R:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, and NH2, provided that at least one of D and E is not H, e.g., at least one of D and E is selected from —O—R21, or at least one of D and E is selected from the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rc:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, and NH2;
• R21, R22, R23, and R24 are identical or different, and are independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rb:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, and 3- to 20-membered heterocyclyl;
• G is selected from halogen and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Re:
• 5- to 20-membered heteroaryl having at least one heteroatom selected from N, 3- to 20-membered heterocyclyl having at least one heteroatom selected from N, and C3-40 cycloalkyl-NH—;
• K is absent or selected from H, halogen, CN, OH, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from R:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• each R2 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from R:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C30.40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, —C(O)R4, and —S(O)2R6;
• each R3 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from R:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C30.40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, —C(O)R4, and —S(O)2R6;
• or, R2 and R3, together with the N atom attached thereto, form the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• 5- to 20-membered heteroaryl and 3- to 20-membered heterocyclyl;
• each R4 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, and —NR2R3;
• each R5 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkylcarbonyl, C2-40 alkenylcarbonyl, C2-40 alkynylcarbonyl, C3-40 cycloalkylcarbonyl, C3-40 cycloalkenylcarbonyl, C3-40 cycloalkynylcarbonyl, C6-20 arylcarbonyl, 5- to 20-membered heteroarylcarbonyl, and 3- to 20-membered heterocyclylcarbonyl;
• each R6 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, and —NR2R3;
• each R7 is identical or different, and is independently selected from H and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, and 3- to 20-membered heterocyclyl;
• m is 0, 1, 2, 3, 4, 5, 6, 7, or 8;
• each R01, R02, R03, and R04 is identical or different, and is independently selected from H, halogen, CN, OH, SH, oxo (═O), NO2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rg:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• each Ra, Rb, Rc, Rd, Re, and Rf is identical or different, and is independently selected from halogen, CN, OH, SH, oxo (═O), NO2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rg:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• each Rg is identical or different, and is independently selected from halogen, CN, OH, SH, oxo (═O), NO2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rh:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• or, when a cyclic group (including but not limited to, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, 3- to 20-membered heterocyclyl, and the like) is substituted with two or more substituents at different positions, two of the substituents can also form a bridged ring with the cyclic group, wherein the bridge atoms other than the bridgehead atoms in the bridged ring can comprise 1, 2, 3, 4, or 5 divalent groups selected from CH2, O, and NH;
• each Rh is identical or different, and is independently selected from halogen, CN, OH, SH, oxo (═O), NO2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from R:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-40 alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• each R1 is identical or different, and is independently selected from halogen, CN, OH, SH, oxo (═O), NO2, and the following groups unsubstituted or optionally substituted with one, two, or more substituents Rj:
• C1-40 alkyl, C2-40 alkenyl, C2-40 alkynyl, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, C6-20 aryl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, C1-alkyloxy, C2-40 alkenyloxy, C2-40 alkynyloxy, C3-40 cycloalkyloxy, C3-40 cycloalkenyloxy, C3-40 cycloalkynyloxy, C6-20 aryloxy, 5- to 20-membered heteroaryloxy, 3- to 20-membered heterocyclyloxy, C6-20 aryl C1-40 alkyl, 5- to 20-membered heteroaryl C1-40 alkyl, 3- to 20-membered heterocyclyl C1-40 alkyl, —NR2R3, —C(O)R4, —OCR5, —S(O)2R6, and OS(O)2R7;
• or, when a cyclic group (including but not limited to, C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, 3- to 20-membered heterocyclyl, and the like) is substituted with two or more substituents at different positions, two of the substituents can also form a bridged ring with the cyclic group, wherein the bridge atoms other than the bridgehead atoms in the bridged ring can comprise 1, 2, 3, 4, or 5 divalent groups selected from CH2, O, and NH;
• or, when one atom (e.g., carbon atom or nitrogen atom) is substituted with two or more substituents, two of the substituents can also, together with the shared atom connected thereto, form the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• cyclic groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf (including but not limited to, the following groups unsubstituted or optionally substituted with one, two, or more substituents independently selected from Rf:
• C3-40 cycloalkyl, C3-40 cycloalkenyl, C3-40 cycloalkynyl, 5- to 20-membered heteroaryl, 3- to 20-membered heterocyclyl, and the like).