2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide

C32H36ClF6N7O2 — CID 88538424

IUPAC2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)NC3CCCCC3)c(N3CCC(C(F)(F)F)CC3)nc21
InChIInChI=1S/C32H36ClF6N7O2/c1-45-26-24(43-29(45)42-23-15-18(7-8-22(23)33)17-40-28(48)30(11-12-30)32(37,38)39)16-21(27(47)41-20-5-3-2-4-6-20)25(44-26)46-13-9-19(10-14-46)31(34,35)36/h7-8,15-16,19-20H,2-6,9-14,17H2,1H3,(H,40,48)(H,41,47)(H,42,43)
InChIKeyMPEQKAONZKYOPZ-UHFFFAOYSA-N
MW700.13 g/mol
LogP7.17
Rot. Bonds8

About 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide

2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88538424) has the molecular formula C32H36ClF6N7O2 and a molecular weight of 700.13 g/mol. Its IUPAC name is 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID88538424
Molecular FormulaC32H36ClF6N7O2
Molecular Weight700.13 g/mol
Exact Mass699.25
IUPAC Name2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)NC3CCCCC3)c(N3CCC(C(F)(F)F)CC3)nc21
InChIInChI=1S/C32H36ClF6N7O2/c1-45-26-24(43-29(45)42-23-15-18(7-8-22(23)33)17-40-28(48)30(11-12-30)32(37,38)39)16-21(27(47)41-20-5-3-2-4-6-20)25(44-26)46-13-9-19(10-14-46)31(34,35)36/h7-8,15-16,19-20H,2-6,9-14,17H2,1H3,(H,40,48)(H,41,47)(H,42,43)
InChIKeyMPEQKAONZKYOPZ-UHFFFAOYSA-N
XLogP7.17
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.13
LogP ≤ 57.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 86669297
N-[[4-chloro-3-[[9-chloro-5-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-3,5-diazatricyclo[6.1.1.02,6]deca-1,3,6-trien-4-yl]amino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 89284750
2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2-fluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 46909124
2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864198
2-[5-[[(2-cyclopropylacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864249
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864223
5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864243
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-N-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 57378795
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-(4,4-difluorocyclohexyl)-3H-benzimidazole-5-carboxamide
CID 89035301
N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 163975370
N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]benzimidazol-2-yl]amino]phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 67960675
2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropanoyl)amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-6-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole-5-carboxamide
CID 88539190

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide (CID 88538424) is 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)NC3CCCCC3)c(N3CCC(C(F)(F)F)CC3)nc21.
What is the InChIKey of 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MPEQKAONZKYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClF6N7O2/c1-45-26-24(43-29(45)42-23-15-18(7-8-22(23)33)17-40-28(48)30(11-12-30)32(37,38)39)16-21(27(47)41-20-5-3-2-4-6-20)25(44-26)46-13-9-19(10-14-46)31(34,35)36/h7-8,15-16,19-20H,2-6,9-14,17H2,1H3,(H,40,48)(H,41,47)(H,42,43).
What are the key properties of 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide?
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 700.13 g/mol, XLogP of 7.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88538424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).