5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

C205H229Cl3F6N56O24 — CID 157365920

IUPAC5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(N)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.O=C(O)[C@@H]1C[C@@H]1F.O=C(O)[C@H]1C[C@H]1F
InChIInChI=1S/2C27H30FN7O3.C27H31N7O3.2C23H23FN6O2.C22H24ClN7O2.C22H26N8O2.C12H13Cl2N3O.C10H12N4O.2C4H5FO2.C4H7NO/c2*1-15-30-24-21(32-20-8-6-7-17(25(20)37-3)26-29-14-34(2)33-26)11-16(12-22(36)18-13-19(18)28)31-27(24)35(15)23-9-4-5-10-38-23;1-16-29-24-21(31-20-8-6-7-19(25(20)36-3)26-28-15-33(2)32-26)13-18(14-22(35)17-10-11-17)30-27(24)34(16)23-9-4-5-12-37-23;2*1-12-7-18-21(26-12)19(8-13(27-18)9-20(31)15-10-16(15)24)28-17-6-4-5-14(22(17)32-3)23-25-11-30(2)29-23;2*1-13-25-19-16(11-17(23)27-22(19)30(13)18-9-4-5-10-32-18)26-15-8-6-7-14(20(15)31-3)21-24-12-29(2)28-21;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;2*5-3-1-2(3)4(6)7;5-4(6)3-1-2-3/h2*6-8,11,14,18-19,23H,4-5,9-10,12-13H2,1-3H3,(H,31,32);6-8,13,15,17,23H,4-5,9-12,14H2,1-3H3,(H,30,31);2*4-6,8,11,15-16H,7,9-10H2,1-3H3,(H,27,28);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,26,27);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H3,23,26,27);6,10H,2-5H2,1H3;3-6H,11H2,1-2H3;2*2-3H,1H2,(H,6,7);3H,1-2H2,(H2,5,6)/t2*18-,19+,23?;;2*15-,16+;;;;;2*2-,3+;/m10.10....10./s1
InChIKeyBJEIALBPAZBTHH-ARQACRKGSA-N
MW4081.80 g/mol
LogP34.68
Rot. Bonds54

About 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 157365920) has the molecular formula C205H229Cl3F6N56O24 and a molecular weight of 4081.80 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID157365920
Molecular FormulaC205H229Cl3F6N56O24
Molecular Weight4081.80 g/mol
Exact Mass4077.74
IUPAC Name5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(N)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.O=C(O)[C@@H]1C[C@@H]1F.O=C(O)[C@H]1C[C@H]1F
InChIInChI=1S/2C27H30FN7O3.C27H31N7O3.2C23H23FN6O2.C22H24ClN7O2.C22H26N8O2.C12H13Cl2N3O.C10H12N4O.2C4H5FO2.C4H7NO/c2*1-15-30-24-21(32-20-8-6-7-17(25(20)37-3)26-29-14-34(2)33-26)11-16(12-22(36)18-13-19(18)28)31-27(24)35(15)23-9-4-5-10-38-23;1-16-29-24-21(31-20-8-6-7-19(25(20)36-3)26-28-15-33(2)32-26)13-18(14-22(35)17-10-11-17)30-27(24)34(16)23-9-4-5-12-37-23;2*1-12-7-18-21(26-12)19(8-13(27-18)9-20(31)15-10-16(15)24)28-17-6-4-5-14(22(17)32-3)23-25-11-30(2)29-23;2*1-13-25-19-16(11-17(23)27-22(19)30(13)18-9-4-5-10-32-18)26-15-8-6-7-14(20(15)31-3)21-24-12-29(2)28-21;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;2*5-3-1-2(3)4(6)7;5-4(6)3-1-2-3/h2*6-8,11,14,18-19,23H,4-5,9-10,12-13H2,1-3H3,(H,31,32);6-8,13,15,17,23H,4-5,9-12,14H2,1-3H3,(H,30,31);2*4-6,8,11,15-16H,7,9-10H2,1-3H3,(H,27,28);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,26,27);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H3,23,26,27);6,10H,2-5H2,1H3;3-6H,11H2,1-2H3;2*2-3H,1H2,(H,6,7);3H,1-2H2,(H2,5,6)/t2*18-,19+,23?;;2*15-,16+;;;;;2*2-,3+;/m10.10....10./s1
InChIKeyBJEIALBPAZBTHH-ARQACRKGSA-N
XLogP34.68
TPSA948.95 Ų
H-Bond Donors12
H-Bond Acceptors77
Rotatable Bonds54
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004081.80
LogP ≤ 534.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1077

Analyze 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 157365920) is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@@H]3C[C@@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)[C@H]3C[C@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(N)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.O=C(O)[C@@H]1C[C@@H]1F.O=C(O)[C@H]1C[C@H]1F.
What is the InChIKey of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is BJEIALBPAZBTHH-ARQACRKGSA-N. The full InChI is InChI=1S/2C27H30FN7O3.C27H31N7O3.2C23H23FN6O2.C22H24ClN7O2.C22H26N8O2.C12H13Cl2N3O.C10H12N4O.2C4H5FO2.C4H7NO/c2*1-15-30-24-21(32-20-8-6-7-17(25(20)37-3)26-29-14-34(2)33-26)11-16(12-22(36)18-13-19(18)28)31-27(24)35(15)23-9-4-5-10-38-23;1-16-29-24-21(31-20-8-6-7-19(25(20)36-3)26-28-15-33(2)32-26)13-18(14-22(35)17-10-11-17)30-27(24)34(16)23-9-4-5-12-37-23;2*1-12-7-18-21(26-12)19(8-13(27-18)9-20(31)15-10-16(15)24)28-17-6-4-5-14(22(17)32-3)23-25-11-30(2)29-23;2*1-13-25-19-16(11-17(23)27-22(19)30(13)18-9-4-5-10-32-18)26-15-8-6-7-14(20(15)31-3)21-24-12-29(2)28-21;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;2*5-3-1-2(3)4(6)7;5-4(6)3-1-2-3/h2*6-8,11,14,18-19,23H,4-5,9-10,12-13H2,1-3H3,(H,31,32);6-8,13,15,17,23H,4-5,9-12,14H2,1-3H3,(H,30,31);2*4-6,8,11,15-16H,7,9-10H2,1-3H3,(H,27,28);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,26,27);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H3,23,26,27);6,10H,2-5H2,1H3;3-6H,11H2,1-2H3;2*2-3H,1H2,(H,6,7);3H,1-2H2,(H2,5,6)/t2*18-,19+,23?;;2*15-,16+;;;;;2*2-,3+;/m10.10....10./s1.
What are the key properties of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 4081.80 g/mol, XLogP of 34.68, 54 rotatable bonds, 12 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1R,2R)-2-fluorocyclopropane-1-carboxylic acid;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(1R,2R)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline;7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 157365920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).