2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane

C256H269BrFN35O17 — CID 160986338

IUPAC2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane
SMILESC.C=C(O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N)c6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.CC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCCC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.COc1ncccc1-c1c(C2CCCC2)c2ccc(C(=O)NC3(c4nc5ccc(/C=C/C(C)=O)cc5n4C)CCC3)cc2n1C
InChIInChI=1S/C38H40FN5O3.C37H39N5O3.C37H39N5O2.2C36H37N5O2.C36H38N4O3.C35H35BrN6O2.CH4/c1-4-24(36(46)47)19-23-11-15-29-32(20-23)44(3)37(41-29)38(17-8-18-38)42-35(45)26-12-14-28-31(21-26)43(2)34(30-16-13-27(39)22-40-30)33(28)25-9-6-5-7-10-25;1-23(43)12-13-24-14-17-29-31(21-24)42(3)36(39-29)37(18-8-19-37)40-34(44)26-15-16-27-30(22-26)41(2)33(32(27)25-9-5-6-10-25)28-11-7-20-38-35(28)45-4;1-23(43)12-13-24-14-17-30-32(20-24)42(3)36(39-30)37(18-7-19-37)40-35(44)27-15-16-29-31(22-27)41(2)34(26-10-6-11-28(38)21-26)33(29)25-8-4-5-9-25;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(42)12-13-24-14-17-30-29(21-24)38-35(41(30)3)36(18-8-19-36)39-34(43)26-15-16-27-31(22-26)40(2)33(28-11-6-7-20-37-28)32(27)25-9-4-5-10-25;1-22(23(2)41)18-24-10-13-29-31(19-24)40(4)35(37-29)36(15-7-16-36)38-34(42)26-11-12-28-30(20-26)39(3)33(27-14-17-43-21-27)32(28)25-8-5-6-9-25;1-21(43)9-10-22-11-14-27-29(17-22)42(3)34(39-27)35(15-6-16-35)40-33(44)24-12-13-26-28(18-24)41(2)31(30(26)23-7-4-5-8-23)32-37-19-25(36)20-38-32;/h11-16,19-22,25H,4-10,17-18H2,1-3H3,(H,42,45)(H,46,47);7,11-17,20-22,25H,5-6,8-10,18-19H2,1-4H3,(H,40,44);6,10-17,20-22,25H,4-5,7-9,18-19,38H2,1-3H3,(H,40,44);2*6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-14,17-21,25,41H,2,5-9,15-16H2,1,3-4H3,(H,38,42);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,40,44);1H4/b24-19+;4*13-12+;22-18+;10-9+;
InChIKeyTUAILIWNLIRCLL-KNNRJOSYSA-N
MW4207.10 g/mol
LogP53.24
Rot. Bonds51

About 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane

2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane (PubChem CID 160986338) has the molecular formula C256H269BrFN35O17 and a molecular weight of 4207.10 g/mol. Its IUPAC name is 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane.

Molecular Properties

Compound Name2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane
PubChem CID160986338
Molecular FormulaC256H269BrFN35O17
Molecular Weight4207.10 g/mol
Exact Mass4203.04
IUPAC Name2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane
SMILESC.C=C(O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N)c6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.CC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCCC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.COc1ncccc1-c1c(C2CCCC2)c2ccc(C(=O)NC3(c4nc5ccc(/C=C/C(C)=O)cc5n4C)CCC3)cc2n1C
InChIInChI=1S/C38H40FN5O3.C37H39N5O3.C37H39N5O2.2C36H37N5O2.C36H38N4O3.C35H35BrN6O2.CH4/c1-4-24(36(46)47)19-23-11-15-29-32(20-23)44(3)37(41-29)38(17-8-18-38)42-35(45)26-12-14-28-31(21-26)43(2)34(30-16-13-27(39)22-40-30)33(28)25-9-6-5-7-10-25;1-23(43)12-13-24-14-17-29-31(21-24)42(3)36(39-29)37(18-8-19-37)40-34(44)26-15-16-27-30(22-26)41(2)33(32(27)25-9-5-6-10-25)28-11-7-20-38-35(28)45-4;1-23(43)12-13-24-14-17-30-32(20-24)42(3)36(39-30)37(18-7-19-37)40-35(44)27-15-16-29-31(22-27)41(2)34(26-10-6-11-28(38)21-26)33(29)25-8-4-5-9-25;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(42)12-13-24-14-17-30-29(21-24)38-35(41(30)3)36(18-8-19-36)39-34(43)26-15-16-27-31(22-26)40(2)33(28-11-6-7-20-37-28)32(27)25-9-4-5-10-25;1-22(23(2)41)18-24-10-13-29-31(19-24)40(4)35(37-29)36(15-7-16-36)38-34(42)26-11-12-28-30(20-26)39(3)33(27-14-17-43-21-27)32(28)25-8-5-6-9-25;1-21(43)9-10-22-11-14-27-29(17-22)42(3)34(39-27)35(15-6-16-35)40-33(44)24-12-13-26-28(18-24)41(2)31(30(26)23-7-4-5-8-23)32-37-19-25(36)20-38-32;/h11-16,19-22,25H,4-10,17-18H2,1-3H3,(H,42,45)(H,46,47);7,11-17,20-22,25H,5-6,8-10,18-19H2,1-4H3,(H,40,44);6,10-17,20-22,25H,4-5,7-9,18-19,38H2,1-3H3,(H,40,44);2*6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-14,17-21,25,41H,2,5-9,15-16H2,1,3-4H3,(H,38,42);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,40,44);1H4/b24-19+;4*13-12+;22-18+;10-9+;
InChIKeyTUAILIWNLIRCLL-KNNRJOSYSA-N
XLogP53.24
TPSA631.56 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004207.10
LogP ≤ 553.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Analyze 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane?
The IUPAC name of 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane (CID 160986338) is 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane.
What is the SMILES notation for 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane?
The canonical SMILES for 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane is C.C=C(O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N)c6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.CC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCCC6)c(-c6ccc(F)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.COc1ncccc1-c1c(C2CCCC2)c2ccc(C(=O)NC3(c4nc5ccc(/C=C/C(C)=O)cc5n4C)CCC3)cc2n1C.
What is the InChIKey of 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane?
The InChIKey is TUAILIWNLIRCLL-KNNRJOSYSA-N. The full InChI is InChI=1S/C38H40FN5O3.C37H39N5O3.C37H39N5O2.2C36H37N5O2.C36H38N4O3.C35H35BrN6O2.CH4/c1-4-24(36(46)47)19-23-11-15-29-32(20-23)44(3)37(41-29)38(17-8-18-38)42-35(45)26-12-14-28-31(21-26)43(2)34(30-16-13-27(39)22-40-30)33(28)25-9-6-5-7-10-25;1-23(43)12-13-24-14-17-29-31(21-24)42(3)36(39-29)37(18-8-19-37)40-34(44)26-15-16-27-30(22-26)41(2)33(32(27)25-9-5-6-10-25)28-11-7-20-38-35(28)45-4;1-23(43)12-13-24-14-17-30-32(20-24)42(3)36(39-30)37(18-7-19-37)40-35(44)27-15-16-29-31(22-27)41(2)34(26-10-6-11-28(38)21-26)33(29)25-8-4-5-9-25;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(42)12-13-24-14-17-30-29(21-24)38-35(41(30)3)36(18-8-19-36)39-34(43)26-15-16-27-31(22-26)40(2)33(28-11-6-7-20-37-28)32(27)25-9-4-5-10-25;1-22(23(2)41)18-24-10-13-29-31(19-24)40(4)35(37-29)36(15-7-16-36)38-34(42)26-11-12-28-30(20-26)39(3)33(27-14-17-43-21-27)32(28)25-8-5-6-9-25;1-21(43)9-10-22-11-14-27-29(17-22)42(3)34(39-27)35(15-6-16-35)40-33(44)24-12-13-26-28(18-24)41(2)31(30(26)23-7-4-5-8-23)32-37-19-25(36)20-38-32;/h11-16,19-22,25H,4-10,17-18H2,1-3H3,(H,42,45)(H,46,47);7,11-17,20-22,25H,5-6,8-10,18-19H2,1-4H3,(H,40,44);6,10-17,20-22,25H,4-5,7-9,18-19,38H2,1-3H3,(H,40,44);2*6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-14,17-21,25,41H,2,5-9,15-16H2,1,3-4H3,(H,38,42);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,40,44);1H4/b24-19+;4*13-12+;22-18+;10-9+;.
What are the key properties of 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane?
2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane has a molecular weight of 4207.10 g/mol, XLogP of 53.24, 51 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(2E)-2-[[2-[1-[[3-cyclohexyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]methylidene]butanoic acid;3-cyclopentyl-2-(furan-3-yl)-N-[1-[6-[(1E)-3-hydroxy-2-methylbuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(2-methoxy-3-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;methane is sourced from PubChem (CID 160986338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).