1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one

C165H189F6N35O6 — CID 158023681

IUPAC1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)F)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)O)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H38FN7O.C34H40FN7O.C33H36FN7O.C32H37F2N7O.C32H38FN7O2/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34;1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40;1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39;1-18(2)40-17-37-26-14-25(39-29(28(26)40)38-24-9-10-35-15-23(24)33)19-7-8-22-27(11-19)41(30(42)32(22,5)6)21-12-20(13-21)36-16-31(3,4)34;1-18(2)39-17-36-26-14-25(38-29(28(26)39)37-24-9-10-34-15-23(24)33)19-7-8-22-27(11-19)40(30(41)32(22,5)6)21-12-20(13-21)35-16-31(3,4)42/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39);7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39);5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38);7-11,14-15,17-18,20-21,36H,12-13,16H2,1-6H3,(H,35,38,39);7-11,14-15,17-18,20-21,35,42H,12-13,16H2,1-6H3,(H,34,37,38)/t;20-,21+,23?,24?;;;
InChIKeyFGIXUWHZKUDBJB-XEYMRZDLSA-N
MW2872.55 g/mol
LogP31.28
Rot. Bonds34

About 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one

1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one (PubChem CID 158023681) has the molecular formula C165H189F6N35O6 and a molecular weight of 2872.55 g/mol. Its IUPAC name is 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one
PubChem CID158023681
Molecular FormulaC165H189F6N35O6
Molecular Weight2872.55 g/mol
Exact Mass2870.55
IUPAC Name1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)F)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)O)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H38FN7O.C34H40FN7O.C33H36FN7O.C32H37F2N7O.C32H38FN7O2/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34;1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40;1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39;1-18(2)40-17-37-26-14-25(39-29(28(26)40)38-24-9-10-35-15-23(24)33)19-7-8-22-27(11-19)41(30(42)32(22,5)6)21-12-20(13-21)36-16-31(3,4)34;1-18(2)39-17-36-26-14-25(38-29(28(26)39)37-24-9-10-34-15-23(24)33)19-7-8-22-27(11-19)40(30(41)32(22,5)6)21-12-20(13-21)35-16-31(3,4)42/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39);7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39);5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38);7-11,14-15,17-18,20-21,36H,12-13,16H2,1-6H3,(H,35,38,39);7-11,14-15,17-18,20-21,35,42H,12-13,16H2,1-6H3,(H,34,37,38)/t;20-,21+,23?,24?;;;
InChIKeyFGIXUWHZKUDBJB-XEYMRZDLSA-N
XLogP31.28
TPSA433.71 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002872.55
LogP ≤ 531.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one with MolForge

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Related Compounds

US11071730, Example 174
CID 146592350
US11071730, Example 67
CID 146592363
US11071730, Example 167
CID 146592380
US11071730, Example 177
CID 146592405
US11071730, Example 37
CID 146592414
US11071730, Example 136
CID 146592431
US11071730, Example 91
CID 146592437
US11071730, Example 106
CID 146592458
US11071730, Example 57
CID 146639925
US11071730, Example 61
CID 146639926
US11071730, Example 56
CID 146639928
US11071730, Example 90
CID 146639936

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one (CID 158023681) is 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)F)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(NCC(C)(C)O)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one?
The InChIKey is FGIXUWHZKUDBJB-XEYMRZDLSA-N. The full InChI is InChI=1S/C34H38FN7O.C34H40FN7O.C33H36FN7O.C32H37F2N7O.C32H38FN7O2/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34;1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40;1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39;1-18(2)40-17-37-26-14-25(39-29(28(26)40)38-24-9-10-35-15-23(24)33)19-7-8-22-27(11-19)41(30(42)32(22,5)6)21-12-20(13-21)36-16-31(3,4)34;1-18(2)39-17-36-26-14-25(38-29(28(26)39)37-24-9-10-34-15-23(24)33)19-7-8-22-27(11-19)40(30(41)32(22,5)6)21-12-20(13-21)35-16-31(3,4)42/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39);7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39);5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38);7-11,14-15,17-18,20-21,36H,12-13,16H2,1-6H3,(H,35,38,39);7-11,14-15,17-18,20-21,35,42H,12-13,16H2,1-6H3,(H,34,37,38)/t;20-,21+,23?,24?;;;.
What are the key properties of 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one?
1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one has a molecular weight of 2872.55 g/mol, XLogP of 31.28, 34 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;1-[3-[(2-fluoro-2-methylpropyl)amino]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-hydroxy-2-methylpropyl)amino]cyclobutyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 158023681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).