2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

C260H275F4N33O19 — CID 159305047

IUPAC2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
SMILESC=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N7CCOCC7)c6)n(C)c5c4)CCC3)n(C)c2c1.C=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccc6N6CCOCC6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5cccc(N)n5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)C6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(C6CC6)n(C)c5c4)CCC3)n(C)c2c1.COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6cc(/C=C/C(C)=O)ccc6n5C)CCC4)cc3n2C)n1
InChIInChI=1S/2C41H45N5O3.C37H39N5O3.C36H36F2N4O3.C36H38N6O2.C35H34F2N4O3.C34H38N4O2/c1-27(47)12-13-28-14-17-34-36(24-28)45(3)40(42-34)41(18-7-19-41)43-39(48)31-15-16-33-35(26-31)44(2)38(37(33)29-8-4-5-9-29)30-10-6-11-32(25-30)46-20-22-49-23-21-46;1-27(47)13-14-28-15-18-33-36(25-28)45(3)40(42-33)41(19-8-20-41)43-39(48)30-16-17-31-35(26-30)44(2)38(37(31)29-9-4-5-10-29)32-11-6-7-12-34(32)46-21-23-49-24-22-46;1-23(43)13-14-24-15-18-30-29(21-24)39-36(42(30)3)37(19-8-20-37)40-35(44)26-16-17-27-31(22-26)41(2)34(33(27)25-9-5-6-10-25)28-11-7-12-32(38-28)45-4;1-22(43)5-6-23-7-10-28-30(19-23)42(3)34(39-28)35(14-4-15-35)40-33(44)25-8-9-27-29(20-25)41(2)32(26-13-18-45-21-26)31(27)24-11-16-36(37,38)17-12-24;1-22(43)12-13-23-14-17-29-28(20-23)39-35(42(29)3)36(18-7-19-36)40-34(44)25-15-16-26-30(21-25)41(2)33(27-10-6-11-31(37)38-27)32(26)24-8-4-5-9-24;1-21(42)5-6-22-7-10-27-29(17-22)41(3)33(38-27)34(13-4-14-34)39-32(43)23-8-9-26-28(18-23)40(2)31(25-12-16-44-20-25)30(26)24-11-15-35(36,37)19-24;1-21(39)9-10-22-11-16-27-29(19-22)38(3)33(35-27)34(17-6-18-34)36-32(40)25-14-15-26-28(20-25)37(2)31(24-12-13-24)30(26)23-7-4-5-8-23/h6,10-17,24-26,29,47H,1,4-5,7-9,18-23H2,2-3H3,(H,43,48);6-7,11-18,25-26,29,47H,1,4-5,8-10,19-24H2,2-3H3,(H,43,48);7,11-18,21-22,25H,5-6,8-10,19-20H2,1-4H3,(H,40,44);5-10,13,18-21,24H,4,11-12,14-17H2,1-3H3,(H,40,44);6,10-17,20-21,24H,4-5,7-9,18-19H2,1-3H3,(H2,37,38)(H,40,44);5-10,12,16-18,20,24H,4,11,13-15,19H2,1-3H3,(H,39,43);9-11,14-16,19-20,23-24H,4-8,12-13,17-18H2,1-3H3,(H,36,40)/b13-12+;2*14-13+;6-5+;13-12+;6-5+;10-9+
InChIKeyLBUUGNRBKPDICV-YRQUAECUSA-N
MW4242.26 g/mol
LogP52.90
Rot. Bonds52

About 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (PubChem CID 159305047) has the molecular formula C260H275F4N33O19 and a molecular weight of 4242.26 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
PubChem CID159305047
Molecular FormulaC260H275F4N33O19
Molecular Weight4242.26 g/mol
Exact Mass4239.15
IUPAC Name2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
SMILESC=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N7CCOCC7)c6)n(C)c5c4)CCC3)n(C)c2c1.C=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccc6N6CCOCC6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5cccc(N)n5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)C6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(C6CC6)n(C)c5c4)CCC3)n(C)c2c1.COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6cc(/C=C/C(C)=O)ccc6n5C)CCC4)cc3n2C)n1
InChIInChI=1S/2C41H45N5O3.C37H39N5O3.C36H36F2N4O3.C36H38N6O2.C35H34F2N4O3.C34H38N4O2/c1-27(47)12-13-28-14-17-34-36(24-28)45(3)40(42-34)41(18-7-19-41)43-39(48)31-15-16-33-35(26-31)44(2)38(37(33)29-8-4-5-9-29)30-10-6-11-32(25-30)46-20-22-49-23-21-46;1-27(47)13-14-28-15-18-33-36(25-28)45(3)40(42-33)41(19-8-20-41)43-39(48)30-16-17-31-35(26-30)44(2)38(37(31)29-9-4-5-10-29)32-11-6-7-12-34(32)46-21-23-49-24-22-46;1-23(43)13-14-24-15-18-30-29(21-24)39-36(42(30)3)37(19-8-20-37)40-35(44)26-16-17-27-31(22-26)41(2)34(33(27)25-9-5-6-10-25)28-11-7-12-32(38-28)45-4;1-22(43)5-6-23-7-10-28-30(19-23)42(3)34(39-28)35(14-4-15-35)40-33(44)25-8-9-27-29(20-25)41(2)32(26-13-18-45-21-26)31(27)24-11-16-36(37,38)17-12-24;1-22(43)12-13-23-14-17-29-28(20-23)39-35(42(29)3)36(18-7-19-36)40-34(44)25-15-16-26-30(21-25)41(2)33(27-10-6-11-31(37)38-27)32(26)24-8-4-5-9-24;1-21(42)5-6-22-7-10-27-29(17-22)41(3)33(38-27)34(13-4-14-34)39-32(43)23-8-9-26-28(18-23)40(2)31(25-12-16-44-20-25)30(26)24-11-15-35(36,37)19-24;1-21(39)9-10-22-11-16-27-29(19-22)38(3)33(35-27)34(17-6-18-34)36-32(40)25-14-15-26-28(20-25)37(2)31(24-12-13-24)30(26)23-7-4-5-8-23/h6,10-17,24-26,29,47H,1,4-5,7-9,18-23H2,2-3H3,(H,43,48);6-7,11-18,25-26,29,47H,1,4-5,8-10,19-24H2,2-3H3,(H,43,48);7,11-18,21-22,25H,5-6,8-10,19-20H2,1-4H3,(H,40,44);5-10,13,18-21,24H,4,11-12,14-17H2,1-3H3,(H,40,44);6,10-17,20-21,24H,4-5,7-9,18-19H2,1-3H3,(H2,37,38)(H,40,44);5-10,12,16-18,20,24H,4,11,13-15,19H2,1-3H3,(H,39,43);9-11,14-16,19-20,23-24H,4-8,12-13,17-18H2,1-3H3,(H,36,40)/b13-12+;2*14-13+;6-5+;13-12+;6-5+;10-9+
InChIKeyLBUUGNRBKPDICV-YRQUAECUSA-N
XLogP52.90
TPSA601.01 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds52
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004242.26
LogP ≤ 552.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The IUPAC name of 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (CID 159305047) is 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The canonical SMILES for 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is C=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc(N7CCOCC7)c6)n(C)c5c4)CCC3)n(C)c2c1.C=C(O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccc6N6CCOCC6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5cccc(N)n5)n(C)c4c3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)C6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(C6CC6)n(C)c5c4)CCC3)n(C)c2c1.COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6cc(/C=C/C(C)=O)ccc6n5C)CCC4)cc3n2C)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The InChIKey is LBUUGNRBKPDICV-YRQUAECUSA-N. The full InChI is InChI=1S/2C41H45N5O3.C37H39N5O3.C36H36F2N4O3.C36H38N6O2.C35H34F2N4O3.C34H38N4O2/c1-27(47)12-13-28-14-17-34-36(24-28)45(3)40(42-34)41(18-7-19-41)43-39(48)31-15-16-33-35(26-31)44(2)38(37(33)29-8-4-5-9-29)30-10-6-11-32(25-30)46-20-22-49-23-21-46;1-27(47)13-14-28-15-18-33-36(25-28)45(3)40(42-33)41(19-8-20-41)43-39(48)30-16-17-31-35(26-30)44(2)38(37(31)29-9-4-5-10-29)32-11-6-7-12-34(32)46-21-23-49-24-22-46;1-23(43)13-14-24-15-18-30-29(21-24)39-36(42(30)3)37(19-8-20-37)40-35(44)26-16-17-27-31(22-26)41(2)34(33(27)25-9-5-6-10-25)28-11-7-12-32(38-28)45-4;1-22(43)5-6-23-7-10-28-30(19-23)42(3)34(39-28)35(14-4-15-35)40-33(44)25-8-9-27-29(20-25)41(2)32(26-13-18-45-21-26)31(27)24-11-16-36(37,38)17-12-24;1-22(43)12-13-23-14-17-29-28(20-23)39-35(42(29)3)36(18-7-19-36)40-34(44)25-15-16-26-30(21-25)41(2)33(27-10-6-11-31(37)38-27)32(26)24-8-4-5-9-24;1-21(42)5-6-22-7-10-27-29(17-22)41(3)33(38-27)34(13-4-14-34)39-32(43)23-8-9-26-28(18-23)40(2)31(25-12-16-44-20-25)30(26)24-11-15-35(36,37)19-24;1-21(39)9-10-22-11-16-27-29(19-22)38(3)33(35-27)34(17-6-18-34)36-32(40)25-14-15-26-28(20-25)37(2)31(24-12-13-24)30(26)23-7-4-5-8-23/h6,10-17,24-26,29,47H,1,4-5,7-9,18-23H2,2-3H3,(H,43,48);6-7,11-18,25-26,29,47H,1,4-5,8-10,19-24H2,2-3H3,(H,43,48);7,11-18,21-22,25H,5-6,8-10,19-20H2,1-4H3,(H,40,44);5-10,13,18-21,24H,4,11-12,14-17H2,1-3H3,(H,40,44);6,10-17,20-21,24H,4-5,7-9,18-19H2,1-3H3,(H2,37,38)(H,40,44);5-10,12,16-18,20,24H,4,11,13-15,19H2,1-3H3,(H,39,43);9-11,14-16,19-20,23-24H,4-8,12-13,17-18H2,1-3H3,(H,36,40)/b13-12+;2*14-13+;6-5+;13-12+;6-5+;10-9+.
What are the key properties of 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide has a molecular weight of 4242.26 g/mol, XLogP of 52.90, 52 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-cyclopropyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(2-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-N-[1-[6-[(1E)-3-hydroxybuta-1,3-dienyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-(3-morpholin-4-ylphenyl)indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-(3,3-difluorocyclopentyl)-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is sourced from PubChem (CID 159305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).