N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide

C134H148Cl9F10N27O8 — CID 162190396

IUPACN-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)NC(c2ccccn2)C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2ccc(F)c(Cl)c2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/2C34H38Cl2F3N7O2.C33H36Cl3FN6O2.C33H36Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4;1-19-11-14-46(15-12-19)29-22(31(47)43-28(34(37,38)39)24-8-6-7-13-40-24)16-25-30(44-29)45(5)26(42-25)17-21-23(35)10-9-20(27(21)36)18-41-32(48)33(2,3)4;1-18-10-12-43(13-11-18)29-22(31(44)39-20-7-9-25(37)24(35)14-20)15-26-30(41-29)42(5)27(40-26)16-21-23(34)8-6-19(28(21)36)17-38-32(45)33(2,3)4;1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48);6-10,13,16,19,28H,11-12,14-15,17-18H2,1-5H3,(H,41,48)(H,43,47);6-9,14-15,18H,10-13,16-17H2,1-5H3,(H,38,45)(H,39,44);6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46)
InChIKeyZQFLPAIWPOPRJL-UHFFFAOYSA-N
MW2773.90 g/mol
LogP29.54
Rot. Bonds30

About N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 162190396) has the molecular formula C134H148Cl9F10N27O8 and a molecular weight of 2773.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID162190396
Molecular FormulaC134H148Cl9F10N27O8
Molecular Weight2773.90 g/mol
Exact Mass2767.90
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)NC(c2ccccn2)C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2ccc(F)c(Cl)c2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/2C34H38Cl2F3N7O2.C33H36Cl3FN6O2.C33H36Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4;1-19-11-14-46(15-12-19)29-22(31(47)43-28(34(37,38)39)24-8-6-7-13-40-24)16-25-30(44-29)45(5)26(42-25)17-21-23(35)10-9-20(27(21)36)18-41-32(48)33(2,3)4;1-18-10-12-43(13-11-18)29-22(31(44)39-20-7-9-25(37)24(35)14-20)15-26-30(41-29)42(5)27(40-26)16-21-23(34)8-6-19(28(21)36)17-38-32(45)33(2,3)4;1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48);6-10,13,16,19,28H,11-12,14-15,17-18H2,1-5H3,(H,41,48)(H,43,47);6-9,14-15,18H,10-13,16-17H2,1-5H3,(H,38,45)(H,39,44);6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46)
InChIKeyZQFLPAIWPOPRJL-UHFFFAOYSA-N
XLogP29.54
TPSA407.27 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.90
LogP ≤ 529.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 57378907
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)pyridin-2-yl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 57378908
2-[2,6-dichloro-3-[(2,2-dimethylpropylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 123377658
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
5-[[6-[1-[3-[2-[2-[4-[4-chloro-5-(ethylcarbamoyl)-2,3-difluoroanilino]-6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]imidazo[4,5-c]pyridin-3-yl]propyl]piperidin-1-yl]-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-(2,2-difluoroethyl)-2,3,4-trifluorobenzamide
CID 146815757
2-[[2,6-dichloro-3-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]phenyl]methyl]-5-[(3R)-3-fluoropyrrolidin-1-yl]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 148694700
2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 149249062
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3R)-3-aminopiperidin-1-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2-difluoropropyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131890
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157227143

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 162190396) is N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide is CC1CCN(c2nc3c(cc2C(=O)NC(c2ccccn2)C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2ccc(F)c(Cl)c2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.CC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZQFLPAIWPOPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H38Cl2F3N7O2.C33H36Cl3FN6O2.C33H36Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4;1-19-11-14-46(15-12-19)29-22(31(47)43-28(34(37,38)39)24-8-6-7-13-40-24)16-25-30(44-29)45(5)26(42-25)17-21-23(35)10-9-20(27(21)36)18-41-32(48)33(2,3)4;1-18-10-12-43(13-11-18)29-22(31(44)39-20-7-9-25(37)24(35)14-20)15-26-30(41-29)42(5)27(40-26)16-21-23(34)8-6-19(28(21)36)17-38-32(45)33(2,3)4;1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48);6-10,13,16,19,28H,11-12,14-15,17-18H2,1-5H3,(H,41,48)(H,43,47);6-9,14-15,18H,10-13,16-17H2,1-5H3,(H,38,45)(H,39,44);6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 2773.90 g/mol, XLogP of 29.54, 30 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 162190396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).