2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

C289H292ClF2N52O13S2+ — CID 158491048

IUPAC2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C3CCC3)c2c1.COc1ccnc(-c2c(C)c3cc(C(=O)NC4(c5nc6ccc(/C=C/C(C)=O)cc6n5C)CCC4)ccc3n2C2CCCCC2)n1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Cl)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(c4[nH]c5ccc(-c6ccn[nH]6)cc5[n+]4C)CCC3)cc21
InChIInChI=1S/C38H40N4O3.C37H36FN7O.C37H40N6O3.C36H35ClN8O.C36H36N6OS.C35H34FN7O.C35H35N7O2.C35H35N7OS/c1-24(43)11-12-25-13-16-31-33(21-25)42(29-9-5-10-29)37(39-31)38(18-6-19-38)40-36(44)27-14-15-30-32(22-27)41(2)35(28-17-20-45-23-28)34(30)26-7-3-4-8-26;1-22-39-19-26(20-40-22)24-10-13-29-32(17-24)45(3)36(42-29)37(15-6-16-37)43-35(46)25-9-12-28-31(18-25)44(2)34(30-14-11-27(38)21-41-30)33(28)23-7-4-5-8-23;1-23(44)11-12-25-13-15-29-31(21-25)42(3)36(39-29)37(18-8-19-37)41-35(45)26-14-16-30-28(22-26)24(2)33(34-38-20-17-32(40-34)46-4)43(30)27-9-6-5-7-10-27;1-21-38-17-25(18-39-21)23-10-12-28-30(15-23)45(3)35(42-28)36(13-6-14-36)43-34(46)24-9-11-27-29(16-24)44(2)32(31(27)22-7-4-5-8-22)33-40-19-26(37)20-41-33;1-22-38-29(21-44-22)24-13-15-30-28(19-24)39-35(42(30)3)36(16-8-17-36)40-34(43)25-12-14-26-31(20-25)41(2)33(27-11-6-7-18-37-27)32(26)23-9-4-5-10-23;1-42-29-19-23(8-11-25(29)31(21-6-3-4-7-21)32(42)28-13-10-24(36)20-37-28)33(44)40-35(15-5-16-35)34-39-27-12-9-22(18-30(27)43(34)2)26-14-17-38-41-26;1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22;1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h11-17,20-23,26,29H,3-10,18-19H2,1-2H3,(H,40,44);9-14,17-21,23H,4-8,15-16H2,1-3H3,(H,43,46);11-17,20-22,27H,5-10,18-19H2,1-4H3,(H,41,45);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,43,46);6-7,11-15,18-21,23H,4-5,8-10,16-17H2,1-3H3,(H,40,43);8-14,17-21H,3-7,15-16H2,1-2H3,(H2,38,40,41,44);6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43)/p+1/b12-11+;;12-11+;;;;;
InChIKeyVTDSYEWBKBXFBA-AEECQXRNSA-O
MW4839.45 g/mol
LogP59.65
Rot. Bonds52

About 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 158491048) has the molecular formula C289H292ClF2N52O13S2+ and a molecular weight of 4839.45 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
PubChem CID158491048
Molecular FormulaC289H292ClF2N52O13S2+
Molecular Weight4839.45 g/mol
Exact Mass4835.29
IUPAC Name2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C3CCC3)c2c1.COc1ccnc(-c2c(C)c3cc(C(=O)NC4(c5nc6ccc(/C=C/C(C)=O)cc6n5C)CCC4)ccc3n2C2CCCCC2)n1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Cl)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(c4[nH]c5ccc(-c6ccn[nH]6)cc5[n+]4C)CCC3)cc21
InChIInChI=1S/C38H40N4O3.C37H36FN7O.C37H40N6O3.C36H35ClN8O.C36H36N6OS.C35H34FN7O.C35H35N7O2.C35H35N7OS/c1-24(43)11-12-25-13-16-31-33(21-25)42(29-9-5-10-29)37(39-31)38(18-6-19-38)40-36(44)27-14-15-30-32(22-27)41(2)35(28-17-20-45-23-28)34(30)26-7-3-4-8-26;1-22-39-19-26(20-40-22)24-10-13-29-32(17-24)45(3)36(42-29)37(15-6-16-37)43-35(46)25-9-12-28-31(18-25)44(2)34(30-14-11-27(38)21-41-30)33(28)23-7-4-5-8-23;1-23(44)11-12-25-13-15-29-31(21-25)42(3)36(39-29)37(18-8-19-37)41-35(45)26-14-16-30-28(22-26)24(2)33(34-38-20-17-32(40-34)46-4)43(30)27-9-6-5-7-10-27;1-21-38-17-25(18-39-21)23-10-12-28-30(15-23)45(3)35(42-28)36(13-6-14-36)43-34(46)24-9-11-27-29(16-24)44(2)32(31(27)22-7-4-5-8-22)33-40-19-26(37)20-41-33;1-22-38-29(21-44-22)24-13-15-30-28(19-24)39-35(42(30)3)36(16-8-17-36)40-34(43)25-12-14-26-31(20-25)41(2)33(27-11-6-7-18-37-27)32(26)23-9-4-5-10-23;1-42-29-19-23(8-11-25(29)31(21-6-3-4-7-21)32(42)28-13-10-24(36)20-37-28)33(44)40-35(15-5-16-35)34-39-27-12-9-22(18-30(27)43(34)2)26-14-17-38-41-26;1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22;1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h11-17,20-23,26,29H,3-10,18-19H2,1-2H3,(H,40,44);9-14,17-21,23H,4-8,15-16H2,1-3H3,(H,43,46);11-17,20-22,27H,5-10,18-19H2,1-4H3,(H,41,45);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,43,46);6-7,11-15,18-21,23H,4-5,8-10,16-17H2,1-3H3,(H,40,43);8-14,17-21H,3-7,15-16H2,1-2H3,(H2,38,40,41,44);6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43)/p+1/b12-11+;;12-11+;;;;;
InChIKeyVTDSYEWBKBXFBA-AEECQXRNSA-O
XLogP59.65
TPSA747.00 Ų
H-Bond Donors10
H-Bond Acceptors56
Rotatable Bonds52
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004839.45
LogP ≤ 559.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1056

Analyze 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide with MolForge

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What is the IUPAC name of 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (CID 158491048) is 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.
What is the SMILES notation for 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C3CCC3)c2c1.COc1ccnc(-c2c(C)c3cc(C(=O)NC4(c5nc6ccc(/C=C/C(C)=O)cc6n5C)CCC4)ccc3n2C2CCCCC2)n1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1ncc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ncc(Cl)cn7)n(C)c6c5)CCC4)n(C)c3c2)cn1.Cc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1.Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(c4[nH]c5ccc(-c6ccn[nH]6)cc5[n+]4C)CCC3)cc21.
What is the InChIKey of 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is VTDSYEWBKBXFBA-AEECQXRNSA-O. The full InChI is InChI=1S/C38H40N4O3.C37H36FN7O.C37H40N6O3.C36H35ClN8O.C36H36N6OS.C35H34FN7O.C35H35N7O2.C35H35N7OS/c1-24(43)11-12-25-13-16-31-33(21-25)42(29-9-5-10-29)37(39-31)38(18-6-19-38)40-36(44)27-14-15-30-32(22-27)41(2)35(28-17-20-45-23-28)34(30)26-7-3-4-8-26;1-22-39-19-26(20-40-22)24-10-13-29-32(17-24)45(3)36(42-29)37(15-6-16-37)43-35(46)25-9-12-28-31(18-25)44(2)34(30-14-11-27(38)21-41-30)33(28)23-7-4-5-8-23;1-23(44)11-12-25-13-15-29-31(21-25)42(3)36(39-29)37(18-8-19-37)41-35(45)26-14-16-30-28(22-26)24(2)33(34-38-20-17-32(40-34)46-4)43(30)27-9-6-5-7-10-27;1-21-38-17-25(18-39-21)23-10-12-28-30(15-23)45(3)35(42-28)36(13-6-14-36)43-34(46)24-9-11-27-29(16-24)44(2)32(31(27)22-7-4-5-8-22)33-40-19-26(37)20-41-33;1-22-38-29(21-44-22)24-13-15-30-28(19-24)39-35(42(30)3)36(16-8-17-36)40-34(43)25-12-14-26-31(20-25)41(2)33(27-11-6-7-18-37-27)32(26)23-9-4-5-10-23;1-42-29-19-23(8-11-25(29)31(21-6-3-4-7-21)32(42)28-13-10-24(36)20-37-28)33(44)40-35(15-5-16-35)34-39-27-12-9-22(18-30(27)43(34)2)26-14-17-38-41-26;1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22;1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h11-17,20-23,26,29H,3-10,18-19H2,1-2H3,(H,40,44);9-14,17-21,23H,4-8,15-16H2,1-3H3,(H,43,46);11-17,20-22,27H,5-10,18-19H2,1-4H3,(H,41,45);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,43,46);6-7,11-15,18-21,23H,4-5,8-10,16-17H2,1-3H3,(H,40,43);8-14,17-21H,3-7,15-16H2,1-2H3,(H2,38,40,41,44);6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43);9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43)/p+1/b12-11+;;12-11+;;;;;.
What are the key properties of 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 4839.45 g/mol, XLogP of 59.65, 52 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;N-[1-[1-cyclobutyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxamide;1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-methylpyrimidin-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[3-methyl-5-(1H-pyrazol-5-yl)-1H-benzimidazol-3-ium-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 158491048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).