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

C217H215Br2F6N39O13 — CID 159108587

IUPAC2-(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
SMILESCC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cc1.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/C39H38FN5O.C38H40F2N6O2.C37H37BrF2N6O2.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-24-9-11-25(12-10-24)27-14-17-31-34(21-27)45(3)38(42-31)39(19-6-20-39)43-37(46)28-13-16-30-33(22-28)44(2)36(32-18-15-29(40)23-41-32)35(30)26-7-4-5-8-26;1-22(23(2)47)19-24-9-12-28-31(20-24)46(4)36(43-28)37(15-6-16-37)44-35(48)26-10-11-27-30(21-26)45(3)34(29-7-5-8-32(41)42-29)33(27)25-13-17-38(39,40)18-14-25;1-21(22(2)47)16-23-6-9-28-30(17-23)46(4)35(43-28)36(12-5-13-36)44-34(48)25-7-8-27-29(18-25)45(3)32(33-41-19-26(38)20-42-33)31(27)24-10-14-37(39,40)15-11-24;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/h9-18,21-23,26H,4-8,19-20H2,1-3H3,(H,43,46);5,7-12,19-21,25H,6,13-18H2,1-4H3,(H2,41,42)(H,44,48);6-9,16-20,24H,5,10-15H2,1-4H3,(H,44,48);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;22-19+;21-16+;;;
InChIKeyKEEWAVKXHSWYEG-FJPBNIIISA-N
MW3851.16 g/mol
LogP43.73
Rot. Bonds38

About 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

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 (PubChem CID 159108587) has the molecular formula C217H215Br2F6N39O13 and a molecular weight of 3851.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159108587
Molecular FormulaC217H215Br2F6N39O13
Molecular Weight3851.16 g/mol
Exact Mass3846.56
IUPAC Name2-(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
SMILESCC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cc1.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/C39H38FN5O.C38H40F2N6O2.C37H37BrF2N6O2.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-24-9-11-25(12-10-24)27-14-17-31-34(21-27)45(3)38(42-31)39(19-6-20-39)43-37(46)28-13-16-30-33(22-28)44(2)36(32-18-15-29(40)23-41-32)35(30)26-7-4-5-8-26;1-22(23(2)47)19-24-9-12-28-31(20-24)46(4)36(43-28)37(15-6-16-37)44-35(48)26-10-11-27-30(21-26)45(3)34(29-7-5-8-32(41)42-29)33(27)25-13-17-38(39,40)18-14-25;1-21(22(2)47)16-23-6-9-28-30(17-23)46(4)35(43-28)36(12-5-13-36)44-34(48)25-7-8-27-29(18-25)45(3)32(33-41-19-26(38)20-42-33)31(27)24-10-14-37(39,40)15-11-24;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/h9-18,21-23,26H,4-8,19-20H2,1-3H3,(H,43,46);5,7-12,19-21,25H,6,13-18H2,1-4H3,(H2,41,42)(H,44,48);6-9,16-20,24H,5,10-15H2,1-4H3,(H,44,48);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;22-19+;21-16+;;;
InChIKeyKEEWAVKXHSWYEG-FJPBNIIISA-N
XLogP43.73
TPSA609.36 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003851.16
LogP ≤ 543.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6cccc(N)n6)n(C)c5c4)CCC3)n(C)c2c1.CC(=O)/C(C)=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCC(F)(F)CC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1.Cc1ccc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)cc1.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 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?
The InChIKey is KEEWAVKXHSWYEG-FJPBNIIISA-N. The full InChI is InChI=1S/C39H38FN5O.C38H40F2N6O2.C37H37BrF2N6O2.C35H34FN7O3.C34H33BrN8O3.C34H33N7O2/c1-24-9-11-25(12-10-24)27-14-17-31-34(21-27)45(3)38(42-31)39(19-6-20-39)43-37(46)28-13-16-30-33(22-28)44(2)36(32-18-15-29(40)23-41-32)35(30)26-7-4-5-8-26;1-22(23(2)47)19-24-9-12-28-31(20-24)46(4)36(43-28)37(15-6-16-37)44-35(48)26-10-11-27-30(21-26)45(3)34(29-7-5-8-32(41)42-29)33(27)25-13-17-38(39,40)18-14-25;1-21(22(2)47)16-23-6-9-28-30(17-23)46(4)35(43-28)36(12-5-13-36)44-34(48)25-7-8-27-29(18-25)45(3)32(33-41-19-26(38)20-42-33)31(27)24-10-14-37(39,40)15-11-24;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/h9-18,21-23,26H,4-8,19-20H2,1-3H3,(H,43,46);5,7-12,19-21,25H,6,13-18H2,1-4H3,(H2,41,42)(H,44,48);6-9,16-20,24H,5,10-15H2,1-4H3,(H,44,48);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;22-19+;21-16+;;;.
What are the key properties of 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?
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 has a molecular weight of 3851.16 g/mol, XLogP of 43.73, 38 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).