2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C154H192Cl9F9N30O11 — CID 158578166

IUPAC2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CCC(F)(F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@@H](F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@H](F)C2)CC1.CCN(C)c1nc2nc(Cc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)[nH]c2cc1C(=O)NC1CCC(F)(F)CC1.COCCN(C)c1nc2c(cc1C(=O)NC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C
InChIInChI=1S/C32H40ClF3N6O3.C31H38Cl2F2N6O2.2C31H39Cl2FN6O2.C29H36Cl2F2N6O2/c1-19-5-8-22(9-6-19)38-29(43)23-17-25-28(40-27(23)41(2)13-14-45-4)42(3)26(39-25)16-21-15-20(7-10-24(21)33)18-37-30(44)31(11-12-31)32(34,35)36;1-17-5-8-19(9-6-17)37-28(42)21-13-23-26(40-27(21)41-12-11-31(34,35)16-41)39-24(38-23)14-20-22(32)10-7-18(25(20)33)15-36-29(43)30(2,3)4;2*1-17-5-8-20(9-6-17)36-29(41)22-13-24-27(39-28(22)40-12-11-19(34)16-40)38-25(37-24)14-21-23(32)10-7-18(26(21)33)15-35-30(42)31(2,3)4;1-6-39(5)25-19(26(40)35-17-9-11-29(32,33)12-10-17)13-21-24(38-25)37-22(36-21)14-18-20(30)8-7-16(23(18)31)15-34-27(41)28(2,3)4/h7,10,15,17,19,22H,5-6,8-9,11-14,16,18H2,1-4H3,(H,37,44)(H,38,43);7,10,13,17,19H,5-6,8-9,11-12,14-16H2,1-4H3,(H,36,43)(H,37,42)(H,38,39,40);2*7,10,13,17,19-20H,5-6,8-9,11-12,14-16H2,1-4H3,(H,35,42)(H,36,41)(H,37,38,39);7-8,13,17H,6,9-12,14-15H2,1-5H3,(H,34,41)(H,35,40)(H,36,37,38)/t;;2*17?,19-,20?;/m..10./s1
InChIKeyHSXLJOOWXQOUBF-FUNSSPBISA-N
MW3129.49 g/mol
LogP31.26
Rot. Bonds40

About 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 158578166) has the molecular formula C154H192Cl9F9N30O11 and a molecular weight of 3129.49 g/mol. Its IUPAC name is 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID158578166
Molecular FormulaC154H192Cl9F9N30O11
Molecular Weight3129.49 g/mol
Exact Mass3123.24
IUPAC Name2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CCC(F)(F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@@H](F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@H](F)C2)CC1.CCN(C)c1nc2nc(Cc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)[nH]c2cc1C(=O)NC1CCC(F)(F)CC1.COCCN(C)c1nc2c(cc1C(=O)NC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C
InChIInChI=1S/C32H40ClF3N6O3.C31H38Cl2F2N6O2.2C31H39Cl2FN6O2.C29H36Cl2F2N6O2/c1-19-5-8-22(9-6-19)38-29(43)23-17-25-28(40-27(23)41(2)13-14-45-4)42(3)26(39-25)16-21-15-20(7-10-24(21)33)18-37-30(44)31(11-12-31)32(34,35)36;1-17-5-8-19(9-6-17)37-28(42)21-13-23-26(40-27(21)41-12-11-31(34,35)16-41)39-24(38-23)14-20-22(32)10-7-18(25(20)33)15-36-29(43)30(2,3)4;2*1-17-5-8-20(9-6-17)36-29(41)22-13-24-27(39-28(22)40-12-11-19(34)16-40)38-25(37-24)14-21-23(32)10-7-18(26(21)33)15-35-30(42)31(2,3)4;1-6-39(5)25-19(26(40)35-17-9-11-29(32,33)12-10-17)13-21-24(38-25)37-22(36-21)14-18-20(30)8-7-16(23(18)31)15-34-27(41)28(2,3)4/h7,10,15,17,19,22H,5-6,8-9,11-14,16,18H2,1-4H3,(H,37,44)(H,38,43);7,10,13,17,19H,5-6,8-9,11-12,14-16H2,1-4H3,(H,36,43)(H,37,42)(H,38,39,40);2*7,10,13,17,19-20H,5-6,8-9,11-12,14-16H2,1-4H3,(H,35,42)(H,36,41)(H,37,38,39);7-8,13,17H,6,9-12,14-15H2,1-5H3,(H,34,41)(H,35,40)(H,36,37,38)/t;;2*17?,19-,20?;/m..10./s1
InChIKeyHSXLJOOWXQOUBF-FUNSSPBISA-N
XLogP31.26
TPSA513.42 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003129.49
LogP ≤ 531.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 158578166) is 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CCC(F)(F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@@H](F)C2)CC1.CC1CCC(NC(=O)c2cc3[nH]c(Cc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)nc3nc2N2CC[C@H](F)C2)CC1.CCN(C)c1nc2nc(Cc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)[nH]c2cc1C(=O)NC1CCC(F)(F)CC1.COCCN(C)c1nc2c(cc1C(=O)NC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.
What is the InChIKey of 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HSXLJOOWXQOUBF-FUNSSPBISA-N. The full InChI is InChI=1S/C32H40ClF3N6O3.C31H38Cl2F2N6O2.2C31H39Cl2FN6O2.C29H36Cl2F2N6O2/c1-19-5-8-22(9-6-19)38-29(43)23-17-25-28(40-27(23)41(2)13-14-45-4)42(3)26(39-25)16-21-15-20(7-10-24(21)33)18-37-30(44)31(11-12-31)32(34,35)36;1-17-5-8-19(9-6-17)37-28(42)21-13-23-26(40-27(21)41-12-11-31(34,35)16-41)39-24(38-23)14-20-22(32)10-7-18(25(20)33)15-36-29(43)30(2,3)4;2*1-17-5-8-20(9-6-17)36-29(41)22-13-24-27(39-28(22)40-12-11-19(34)16-40)38-25(37-24)14-21-23(32)10-7-18(26(21)33)15-35-30(42)31(2,3)4;1-6-39(5)25-19(26(40)35-17-9-11-29(32,33)12-10-17)13-21-24(38-25)37-22(36-21)14-18-20(30)8-7-16(23(18)31)15-34-27(41)28(2,3)4/h7,10,15,17,19,22H,5-6,8-9,11-14,16,18H2,1-4H3,(H,37,44)(H,38,43);7,10,13,17,19H,5-6,8-9,11-12,14-16H2,1-4H3,(H,36,43)(H,37,42)(H,38,39,40);2*7,10,13,17,19-20H,5-6,8-9,11-12,14-16H2,1-4H3,(H,35,42)(H,36,41)(H,37,38,39);7-8,13,17H,6,9-12,14-15H2,1-5H3,(H,34,41)(H,35,40)(H,36,37,38)/t;;2*17?,19-,20?;/m..10./s1.
What are the key properties of 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 3129.49 g/mol, XLogP of 31.26, 40 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[2-methoxyethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4,4-difluorocyclohexyl)-5-[ethyl(methyl)amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(3,3-difluoropyrrolidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 158578166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).