N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

C214H210Br2F6N40O15 — CID 158472817

IUPACN-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(N)cc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3nnco3)cc21.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Br)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O
InChIInChI=1S/C38H37FN6O.C37H38F2N6O3.C36H35BrF2N6O3.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-44-32-21-26(10-15-29(32)34(24-6-3-4-7-24)35(44)31-17-12-27(39)22-41-31)36(46)43-38(18-5-19-38)37-42-30-16-11-25(20-33(30)45(37)2)23-8-13-28(40)14-9-23;1-21(34(47)48)18-22-8-11-26-29(19-22)45(3)35(42-26)36(14-5-15-36)43-33(46)24-9-10-25-28(20-24)44(2)32(27-6-4-7-30(40)41-27)31(25)23-12-16-37(38,39)17-13-23;1-20(33(47)48)15-21-5-8-26-28(16-21)45(3)34(42-26)35(11-4-12-35)43-32(46)23-6-7-25-27(17-23)44(2)30(31-40-18-24(37)19-41-31)29(25)22-9-13-36(38,39)14-10-22;1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32;1-41-25-15-20(9-11-23(25)27(19-7-4-5-8-19)28(41)29-36-17-22(35)18-37-29)30(44)39-34(13-6-14-34)32-38-24-12-10-21(16-26(24)42(32)2)31-40-43(3)33(45)46-31;1-40-27-18-22(11-13-24(27)29(21-8-3-4-9-21)30(40)26-10-5-6-17-35-26)31(42)38-34(15-7-16-34)33-37-25-14-12-23(19-28(25)41(33)2)32-39-36-20-43-32/h8-17,20-22,24H,3-7,18-19,40H2,1-2H3,(H,43,46);4,6-11,18-20,23H,5,12-17H2,1-3H3,(H2,40,41)(H,43,46)(H,47,48);5-8,15-19,22H,4,9-14H2,1-3H3,(H,43,46)(H,47,48);9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44);9-12,15-19H,4-8,13-14H2,1-3H3,(H,39,44);5-6,10-14,17-21H,3-4,7-9,15-16H2,1-2H3,(H,38,42)/b;21-18+;20-15+;;;
InChIKeyHGOCYWOVARKMGY-GUGCBBMZSA-N
MW3856.09 g/mol
LogP41.99
Rot. Bonds38

About N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 158472817) has the molecular formula C214H210Br2F6N40O15 and a molecular weight of 3856.09 g/mol. Its IUPAC name is N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
PubChem CID158472817
Molecular FormulaC214H210Br2F6N40O15
Molecular Weight3856.09 g/mol
Exact Mass3851.52
IUPAC NameN-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESC/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(N)cc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3nnco3)cc21.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Br)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O
InChIInChI=1S/C38H37FN6O.C37H38F2N6O3.C36H35BrF2N6O3.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-44-32-21-26(10-15-29(32)34(24-6-3-4-7-24)35(44)31-17-12-27(39)22-41-31)36(46)43-38(18-5-19-38)37-42-30-16-11-25(20-33(30)45(37)2)23-8-13-28(40)14-9-23;1-21(34(47)48)18-22-8-11-26-29(19-22)45(3)35(42-26)36(14-5-15-36)43-33(46)24-9-10-25-28(20-24)44(2)32(27-6-4-7-30(40)41-27)31(25)23-12-16-37(38,39)17-13-23;1-20(33(47)48)15-21-5-8-26-28(16-21)45(3)34(42-26)35(11-4-12-35)43-32(46)23-6-7-25-27(17-23)44(2)30(31-40-18-24(37)19-41-31)29(25)22-9-13-36(38,39)14-10-22;1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32;1-41-25-15-20(9-11-23(25)27(19-7-4-5-8-19)28(41)29-36-17-22(35)18-37-29)30(44)39-34(13-6-14-34)32-38-24-12-10-21(16-26(24)42(32)2)31-40-43(3)33(45)46-31;1-40-27-18-22(11-13-24(27)29(21-8-3-4-9-21)30(40)26-10-5-6-17-35-26)31(42)38-34(15-7-16-34)33-37-25-14-12-23(19-28(25)41(33)2)32-39-36-20-43-32/h8-17,20-22,24H,3-7,18-19,40H2,1-2H3,(H,43,46);4,6-11,18-20,23H,5,12-17H2,1-3H3,(H2,40,41)(H,43,46)(H,47,48);5-8,15-19,22H,4,9-14H2,1-3H3,(H,43,46)(H,47,48);9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44);9-12,15-19H,4-8,13-14H2,1-3H3,(H,39,44);5-6,10-14,17-21H,3-4,7-9,15-16H2,1-2H3,(H,38,42)/b;21-18+;20-15+;;;
InChIKeyHGOCYWOVARKMGY-GUGCBBMZSA-N
XLogP41.99
TPSA675.84 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003856.09
LogP ≤ 541.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-N-[1-[1-(cyclopropylmethyl)-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[1-ethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[1-(2-fluoroethyl)-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-2-(6-methoxypyridazin-3-yl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carbonyl)amino]cyclopropyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid
CID 158025161
2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methyl-N-[1-[1-methyl-6-[(E)-2-methyl-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-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methyl-N-[1-[1-methyl-6-[(E)-2-methyl-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methylphenyl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
CID 159108587
(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;(E)-3-[2-[1-[[3-cyclopentyl-2-(6-methoxypyridazin-3-yl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carbonyl)amino]cyclopropyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;(E)-3-[2-[1-[(1-cyclopentyl-2-pyridin-2-yl-3H-indene-5-carbonyl)amino]cyclobutyl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid
CID 159255356
3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;diethoxymethoxyethane;molecular hydrogen
CID 157121382
tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone
CID 158095481
5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;methane
CID 158135660
(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carboxylic acid;ethyl (E)-3-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]prop-2-enoate
CID 158324675
N-[1-[5-[(E)-3-amino-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carbonyl)amino]cyclobutyl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid;3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carboxylic acid;ethyl (E)-3-[2-(1-aminocyclobutyl)-1-methylbenzimidazol-5-yl]prop-2-enoate;methane
CID 158365444
(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclopent-3-en-1-yl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid;(E)-3-[2-[1-[[3-cyclopentyl-2-(2,6-dimethyl-3-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-[1-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-1-methylbenzimidazole-5-carboxylic acid;3-cyclopentyl-N-[1-(6-imidazol-1-yl-1-methylbenzimidazol-2-yl)cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;(E)-3-[2-[1-[[3-cyclopentyl-2-(5-methoxy-3-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid
CID 158506156
tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone
CID 159681129
5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
CID 159709709
CID 160986338
CID 160986338

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (CID 158472817) is N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.
What is the SMILES notation for N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3ccc(N)cc3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3nnco3)cc21.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O.Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Br)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O.
What is the InChIKey of N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is HGOCYWOVARKMGY-GUGCBBMZSA-N. The full InChI is InChI=1S/C38H37FN6O.C37H38F2N6O3.C36H35BrF2N6O3.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-44-32-21-26(10-15-29(32)34(24-6-3-4-7-24)35(44)31-17-12-27(39)22-41-31)36(46)43-38(18-5-19-38)37-42-30-16-11-25(20-33(30)45(37)2)23-8-13-28(40)14-9-23;1-21(34(47)48)18-22-8-11-26-29(19-22)45(3)35(42-26)36(14-5-15-36)43-33(46)24-9-10-25-28(20-24)44(2)32(27-6-4-7-30(40)41-27)31(25)23-12-16-37(38,39)17-13-23;1-20(33(47)48)15-21-5-8-26-28(16-21)45(3)34(42-26)35(11-4-12-35)43-32(46)23-6-7-25-27(17-23)44(2)30(31-40-18-24(37)19-41-31)29(25)22-9-13-36(38,39)14-10-22;1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32;1-41-25-15-20(9-11-23(25)27(19-7-4-5-8-19)28(41)29-36-17-22(35)18-37-29)30(44)39-34(13-6-14-34)32-38-24-12-10-21(16-26(24)42(32)2)31-40-43(3)33(45)46-31;1-40-27-18-22(11-13-24(27)29(21-8-3-4-9-21)30(40)26-10-5-6-17-35-26)31(42)38-34(15-7-16-34)33-37-25-14-12-23(19-28(25)41(33)2)32-39-36-20-43-32/h8-17,20-22,24H,3-7,18-19,40H2,1-2H3,(H,43,46);4,6-11,18-20,23H,5,12-17H2,1-3H3,(H2,40,41)(H,43,46)(H,47,48);5-8,15-19,22H,4,9-14H2,1-3H3,(H,43,46)(H,47,48);9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44);9-12,15-19H,4-8,13-14H2,1-3H3,(H,39,44);5-6,10-14,17-21H,3-4,7-9,15-16H2,1-2H3,(H,38,42)/b;21-18+;20-15+;;;.
What are the key properties of N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 3856.09 g/mol, XLogP of 41.99, 38 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-aminophenyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]-2-methylprop-2-enoic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 158472817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).