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

C213H220FN31O12S2 — CID 159091793

IUPAC1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide
SMILESCC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccoc5)n(C)c4c3)CCCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6nccs6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccs4)n5C4CCCCC4)CCC3)n(C)c2c1.Cc1c(-c2ccc(F)cn2)n(C2CCCCC2)c2ccc(C(=O)NC3(c4nc5ccc(-c6ccn[nH]6)cc5n4C)CCC3)cc12
InChIInChI=1S/C36H36FN7O.C36H37N5O2.C36H38N4O3.C36H38N4O2S.C35H36N6O2.C34H35N5O2S/c1-22-27-19-24(10-14-31(27)44(26-7-4-3-5-8-26)33(22)30-13-11-25(37)21-38-30)34(45)41-36(16-6-17-36)35-40-29-12-9-23(20-32(29)43(35)2)28-15-18-39-42-28;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(41)10-11-24-12-15-30-29(20-24)37-35(40(30)3)36(17-6-7-18-36)38-34(42)26-13-14-28-31(21-26)39(2)33(27-16-19-43-22-27)32(28)25-8-4-5-9-25;1-23(41)12-13-25-14-16-29-31(21-25)39(3)35(37-29)36(18-8-19-36)38-34(42)26-15-17-30-28(22-26)24(2)33(32-11-7-20-43-32)40(30)27-9-5-4-6-10-27;1-22(42)9-10-23-11-14-27-30(19-23)41(3)34(38-27)35(15-6-16-35)39-33(43)25-12-13-26-29(20-25)40(2)32(28-21-36-17-18-37-28)31(26)24-7-4-5-8-24;1-21(40)9-10-22-11-14-26-28(19-22)39(3)33(36-26)34(15-6-16-34)37-31(41)24-12-13-25-27(20-24)38(2)30(32-35-17-18-42-32)29(25)23-7-4-5-8-23/h9-15,18-21,26H,3-8,16-17H2,1-2H3,(H,39,42)(H,41,45);6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-16,19-22,25H,4-9,17-18H2,1-3H3,(H,38,42);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,38,42);9-14,17-21,24H,4-8,15-16H2,1-3H3,(H,39,43);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,37,41)/b;13-12+;11-10+;13-12+;2*10-9+
InChIKeyKCDSVCHFNGAXBJ-XBBQDSIGSA-N
MW3489.44 g/mol
LogP45.05
Rot. Bonds41

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

1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide (PubChem CID 159091793) has the molecular formula C213H220FN31O12S2 and a molecular weight of 3489.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide
PubChem CID159091793
Molecular FormulaC213H220FN31O12S2
Molecular Weight3489.44 g/mol
Exact Mass3486.70
IUPAC Name1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide
SMILESCC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccoc5)n(C)c4c3)CCCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6nccs6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccs4)n5C4CCCCC4)CCC3)n(C)c2c1.Cc1c(-c2ccc(F)cn2)n(C2CCCCC2)c2ccc(C(=O)NC3(c4nc5ccc(-c6ccn[nH]6)cc5n4C)CCC3)cc12
InChIInChI=1S/C36H36FN7O.C36H37N5O2.C36H38N4O3.C36H38N4O2S.C35H36N6O2.C34H35N5O2S/c1-22-27-19-24(10-14-31(27)44(26-7-4-3-5-8-26)33(22)30-13-11-25(37)21-38-30)34(45)41-36(16-6-17-36)35-40-29-12-9-23(20-32(29)43(35)2)28-15-18-39-42-28;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(41)10-11-24-12-15-30-29(20-24)37-35(40(30)3)36(17-6-7-18-36)38-34(42)26-13-14-28-31(21-26)39(2)33(27-16-19-43-22-27)32(28)25-8-4-5-9-25;1-23(41)12-13-25-14-16-29-31(21-25)39(3)35(37-29)36(18-8-19-36)38-34(42)26-15-17-30-28(22-26)24(2)33(32-11-7-20-43-32)40(30)27-9-5-4-6-10-27;1-22(42)9-10-23-11-14-27-30(19-23)41(3)34(38-27)35(15-6-16-35)39-33(43)25-12-13-26-29(20-25)40(2)32(28-21-36-17-18-37-28)31(26)24-7-4-5-8-24;1-21(40)9-10-22-11-14-26-28(19-22)39(3)33(36-26)34(15-6-16-34)37-31(41)24-12-13-25-27(20-24)38(2)30(32-35-17-18-42-32)29(25)23-7-4-5-8-23/h9-15,18-21,26H,3-8,16-17H2,1-2H3,(H,39,42)(H,41,45);6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-16,19-22,25H,4-9,17-18H2,1-3H3,(H,38,42);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,38,42);9-14,17-21,24H,4-8,15-16H2,1-3H3,(H,39,43);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,37,41)/b;13-12+;11-10+;13-12+;2*10-9+
InChIKeyKCDSVCHFNGAXBJ-XBBQDSIGSA-N
XLogP45.05
TPSA502.72 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds41
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003489.44
LogP ≤ 545.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide?
The IUPAC name of 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide (CID 159091793) is 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide is CC(=O)/C=C/c1ccc2c(c1)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccoc5)n(C)c4c3)CCCC1)n2C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6nccs6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(c4)c(C)c(-c4cccs4)n5C4CCCCC4)CCC3)n(C)c2c1.Cc1c(-c2ccc(F)cn2)n(C2CCCCC2)c2ccc(C(=O)NC3(c4nc5ccc(-c6ccn[nH]6)cc5n4C)CCC3)cc12.
What is the InChIKey of 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide?
The InChIKey is KCDSVCHFNGAXBJ-XBBQDSIGSA-N. The full InChI is InChI=1S/C36H36FN7O.C36H37N5O2.C36H38N4O3.C36H38N4O2S.C35H36N6O2.C34H35N5O2S/c1-22-27-19-24(10-14-31(27)44(26-7-4-3-5-8-26)33(22)30-13-11-25(37)21-38-30)34(45)41-36(16-6-17-36)35-40-29-12-9-23(20-32(29)43(35)2)28-15-18-39-42-28;1-23(42)12-13-24-14-17-28-31(21-24)41(3)35(38-28)36(18-8-19-36)39-34(43)26-15-16-27-30(22-26)40(2)33(29-11-6-7-20-37-29)32(27)25-9-4-5-10-25;1-23(41)10-11-24-12-15-30-29(20-24)37-35(40(30)3)36(17-6-7-18-36)38-34(42)26-13-14-28-31(21-26)39(2)33(27-16-19-43-22-27)32(28)25-8-4-5-9-25;1-23(41)12-13-25-14-16-29-31(21-25)39(3)35(37-29)36(18-8-19-36)38-34(42)26-15-17-30-28(22-26)24(2)33(32-11-7-20-43-32)40(30)27-9-5-4-6-10-27;1-22(42)9-10-23-11-14-27-30(19-23)41(3)34(38-27)35(15-6-16-35)39-33(43)25-12-13-26-29(20-25)40(2)32(28-21-36-17-18-37-28)31(26)24-7-4-5-8-24;1-21(40)9-10-22-11-14-26-28(19-22)39(3)33(36-26)34(15-6-16-34)37-31(41)24-12-13-25-27(20-24)38(2)30(32-35-17-18-42-32)29(25)23-7-4-5-8-23/h9-15,18-21,26H,3-8,16-17H2,1-2H3,(H,39,42)(H,41,45);6-7,11-17,20-22,25H,4-5,8-10,18-19H2,1-3H3,(H,39,43);10-16,19-22,25H,4-9,17-18H2,1-3H3,(H,38,42);7,11-17,20-22,27H,4-6,8-10,18-19H2,1-3H3,(H,38,42);9-14,17-21,24H,4-8,15-16H2,1-3H3,(H,39,43);9-14,17-20,23H,4-8,15-16H2,1-3H3,(H,37,41)/b;13-12+;11-10+;13-12+;2*10-9+.
What are the key properties of 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide?
1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide has a molecular weight of 3489.44 g/mol, XLogP of 45.05, 41 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-fluoro-2-pyridinyl)-3-methyl-N-[1-[1-methyl-6-(1H-pyrazol-5-yl)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-thiophen-2-ylindole-5-carboxamide;3-cyclopentyl-2-(furan-3-yl)-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopentyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(1,3-thiazol-2-yl)indole-6-carboxamide is sourced from PubChem (CID 159091793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).