2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide

C298H311F4N37O18S2 — CID 160854493

IUPAC2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide
SMILESCC(=O)/C=C/c1cc2c(cc1C)nc(C1(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cc(C)cnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc(F)cn4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc6c(c4)OCO6)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccccc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccsc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4nccs4)n5C4CCCCC4)CCC3)n(C)c2c1
InChIInChI=1S/C39H40N4O4.2C38H40FN5O2.C38H40N4O2.2C37H38FN5O2.C36H38N4O2S.C35H37N5O2S/c1-24(44)10-11-26-12-15-31-33(20-26)42(3)38(40-31)39(18-7-19-39)41-37(45)28-13-16-32-30(21-28)25(2)36(43(32)29-8-5-4-6-9-29)27-14-17-34-35(22-27)47-23-46-34;1-23-19-32-34(21-26(23)12-11-24(2)45)43(4)37(41-32)38(17-8-18-38)42-36(46)27-13-16-33-30(20-27)25(3)35(31-15-14-28(39)22-40-31)44(33)29-9-6-5-7-10-29;1-23-19-30(35(39)40-22-23)34-25(3)29-21-27(14-16-32(29)44(34)28-9-6-5-7-10-28)36(46)42-38(17-8-18-38)37-41-31-15-13-26(12-11-24(2)45)20-33(31)43(37)4;1-25(43)15-16-27-17-19-32-34(23-27)41(3)37(39-32)38(21-10-22-38)40-36(44)29-18-20-33-31(24-29)26(2)35(28-11-6-4-7-12-28)42(33)30-13-8-5-9-14-30;1-23(44)12-13-25-14-16-30-32(21-25)42(3)36(40-30)37(18-8-19-37)41-35(45)26-15-17-31-29(22-26)24(2)33(28-11-7-20-39-34(28)38)43(31)27-9-5-4-6-10-27;1-23(44)10-11-25-12-15-30-33(20-25)42(3)36(40-30)37(18-7-19-37)41-35(45)26-13-17-32-29(21-26)24(2)34(31-16-14-27(38)22-39-31)43(32)28-8-5-4-6-9-28;1-23(41)10-11-25-12-14-30-32(20-25)39(3)35(37-30)36(17-7-18-36)38-34(42)26-13-15-31-29(21-26)24(2)33(27-16-19-43-22-27)40(31)28-8-5-4-6-9-28;1-22(41)10-11-24-12-14-28-30(20-24)39(3)34(37-28)35(16-7-17-35)38-32(42)25-13-15-29-27(21-25)23(2)31(33-36-18-19-43-33)40(29)26-8-5-4-6-9-26/h10-17,20-22,29H,4-9,18-19,23H2,1-3H3,(H,41,45);11-16,19-22,29H,5-10,17-18H2,1-4H3,(H,42,46);11-16,19-22,28H,5-10,17-18H2,1-4H3,(H,42,46);4,6-7,11-12,15-20,23-24,30H,5,8-10,13-14,21-22H2,1-3H3,(H,40,44);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,41,45);10-17,20-22,28H,4-9,18-19H2,1-3H3,(H,41,45);10-16,19-22,28H,4-9,17-18H2,1-3H3,(H,38,42);10-15,18-21,26H,4-9,16-17H2,1-3H3,(H,38,42)/b11-10+;2*12-11+;16-15+;13-12+;3*11-10+
InChIKeySJRQKQHMXLHXQD-RKQUPCAOSA-N
MW4839.13 g/mol
LogP65.36
Rot. Bonds56

About 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide

2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide (PubChem CID 160854493) has the molecular formula C298H311F4N37O18S2 and a molecular weight of 4839.13 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide
PubChem CID160854493
Molecular FormulaC298H311F4N37O18S2
Molecular Weight4839.13 g/mol
Exact Mass4835.39
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide
SMILESCC(=O)/C=C/c1cc2c(cc1C)nc(C1(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cc(C)cnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc(F)cn4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc6c(c4)OCO6)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccccc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccsc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4nccs4)n5C4CCCCC4)CCC3)n(C)c2c1
InChIInChI=1S/C39H40N4O4.2C38H40FN5O2.C38H40N4O2.2C37H38FN5O2.C36H38N4O2S.C35H37N5O2S/c1-24(44)10-11-26-12-15-31-33(20-26)42(3)38(40-31)39(18-7-19-39)41-37(45)28-13-16-32-30(21-28)25(2)36(43(32)29-8-5-4-6-9-29)27-14-17-34-35(22-27)47-23-46-34;1-23-19-32-34(21-26(23)12-11-24(2)45)43(4)37(41-32)38(17-8-18-38)42-36(46)27-13-16-33-30(20-27)25(3)35(31-15-14-28(39)22-40-31)44(33)29-9-6-5-7-10-29;1-23-19-30(35(39)40-22-23)34-25(3)29-21-27(14-16-32(29)44(34)28-9-6-5-7-10-28)36(46)42-38(17-8-18-38)37-41-31-15-13-26(12-11-24(2)45)20-33(31)43(37)4;1-25(43)15-16-27-17-19-32-34(23-27)41(3)37(39-32)38(21-10-22-38)40-36(44)29-18-20-33-31(24-29)26(2)35(28-11-6-4-7-12-28)42(33)30-13-8-5-9-14-30;1-23(44)12-13-25-14-16-30-32(21-25)42(3)36(40-30)37(18-8-19-37)41-35(45)26-15-17-31-29(22-26)24(2)33(28-11-7-20-39-34(28)38)43(31)27-9-5-4-6-10-27;1-23(44)10-11-25-12-15-30-33(20-25)42(3)36(40-30)37(18-7-19-37)41-35(45)26-13-17-32-29(21-26)24(2)34(31-16-14-27(38)22-39-31)43(32)28-8-5-4-6-9-28;1-23(41)10-11-25-12-14-30-32(20-25)39(3)35(37-30)36(17-7-18-36)38-34(42)26-13-15-31-29(21-26)24(2)33(27-16-19-43-22-27)40(31)28-8-5-4-6-9-28;1-22(41)10-11-24-12-14-28-30(20-24)39(3)34(37-28)35(16-7-17-35)38-32(42)25-13-15-29-27(21-25)23(2)31(33-36-18-19-43-33)40(29)26-8-5-4-6-9-26/h10-17,20-22,29H,4-9,18-19,23H2,1-3H3,(H,41,45);11-16,19-22,29H,5-10,17-18H2,1-4H3,(H,42,46);11-16,19-22,28H,5-10,17-18H2,1-4H3,(H,42,46);4,6-7,11-12,15-20,23-24,30H,5,8-10,13-14,21-22H2,1-3H3,(H,40,44);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,41,45);10-17,20-22,28H,4-9,18-19H2,1-3H3,(H,41,45);10-16,19-22,28H,4-9,17-18H2,1-3H3,(H,38,42);10-15,18-21,26H,4-9,16-17H2,1-3H3,(H,38,42)/b11-10+;2*12-11+;16-15+;13-12+;3*11-10+
InChIKeySJRQKQHMXLHXQD-RKQUPCAOSA-N
XLogP65.36
TPSA634.27 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004839.13
LogP ≤ 565.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Analyze 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide with MolForge

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What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide (CID 160854493) is 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide is CC(=O)/C=C/c1cc2c(cc1C)nc(C1(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cc(C)cnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc(F)cn4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccc6c(c4)OCO6)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccccc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccnc4F)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4ccsc4)n5C4CCCCC4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4nccs4)n5C4CCCCC4)CCC3)n(C)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide?
The InChIKey is SJRQKQHMXLHXQD-RKQUPCAOSA-N. The full InChI is InChI=1S/C39H40N4O4.2C38H40FN5O2.C38H40N4O2.2C37H38FN5O2.C36H38N4O2S.C35H37N5O2S/c1-24(44)10-11-26-12-15-31-33(20-26)42(3)38(40-31)39(18-7-19-39)41-37(45)28-13-16-32-30(21-28)25(2)36(43(32)29-8-5-4-6-9-29)27-14-17-34-35(22-27)47-23-46-34;1-23-19-32-34(21-26(23)12-11-24(2)45)43(4)37(41-32)38(17-8-18-38)42-36(46)27-13-16-33-30(20-27)25(3)35(31-15-14-28(39)22-40-31)44(33)29-9-6-5-7-10-29;1-23-19-30(35(39)40-22-23)34-25(3)29-21-27(14-16-32(29)44(34)28-9-6-5-7-10-28)36(46)42-38(17-8-18-38)37-41-31-15-13-26(12-11-24(2)45)20-33(31)43(37)4;1-25(43)15-16-27-17-19-32-34(23-27)41(3)37(39-32)38(21-10-22-38)40-36(44)29-18-20-33-31(24-29)26(2)35(28-11-6-4-7-12-28)42(33)30-13-8-5-9-14-30;1-23(44)12-13-25-14-16-30-32(21-25)42(3)36(40-30)37(18-8-19-37)41-35(45)26-15-17-31-29(22-26)24(2)33(28-11-7-20-39-34(28)38)43(31)27-9-5-4-6-10-27;1-23(44)10-11-25-12-15-30-33(20-25)42(3)36(40-30)37(18-7-19-37)41-35(45)26-13-17-32-29(21-26)24(2)34(31-16-14-27(38)22-39-31)43(32)28-8-5-4-6-9-28;1-23(41)10-11-25-12-14-30-32(20-25)39(3)35(37-30)36(17-7-18-36)38-34(42)26-13-15-31-29(21-26)24(2)33(27-16-19-43-22-27)40(31)28-8-5-4-6-9-28;1-22(41)10-11-24-12-14-28-30(20-24)39(3)34(37-28)35(16-7-17-35)38-32(42)25-13-15-29-27(21-25)23(2)31(33-36-18-19-43-33)40(29)26-8-5-4-6-9-26/h10-17,20-22,29H,4-9,18-19,23H2,1-3H3,(H,41,45);11-16,19-22,29H,5-10,17-18H2,1-4H3,(H,42,46);11-16,19-22,28H,5-10,17-18H2,1-4H3,(H,42,46);4,6-7,11-12,15-20,23-24,30H,5,8-10,13-14,21-22H2,1-3H3,(H,40,44);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,41,45);10-17,20-22,28H,4-9,18-19H2,1-3H3,(H,41,45);10-16,19-22,28H,4-9,17-18H2,1-3H3,(H,38,42);10-15,18-21,26H,4-9,16-17H2,1-3H3,(H,38,42)/b11-10+;2*12-11+;16-15+;13-12+;3*11-10+.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide?
2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide has a molecular weight of 4839.13 g/mol, XLogP of 65.36, 56 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-3-methylindole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-5-methyl-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-phenylindole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide is sourced from PubChem (CID 160854493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).