5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C28H31F7N6O3 — CID 88565884

IUPAC5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3nc(OCC(F)F)c(C(=O)NC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1F
InChIInChI=1S/C28H31F7N6O3/c1-27(2,3)25(43)36-11-13-4-9-17(29)21(20(13)32)39-26-38-18-10-16(24(40-22(18)41-26)44-12-19(30)31)23(42)37-15-7-5-14(6-8-15)28(33,34)35/h4,9-10,14-15,19H,5-8,11-12H2,1-3H3,(H,36,43)(H,37,42)(H2,38,39,40,41)
InChIKeyQFLKABUOSAUHDP-UHFFFAOYSA-N
MW632.58 g/mol
LogP6.14
Rot. Bonds9

About 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88565884) has the molecular formula C28H31F7N6O3 and a molecular weight of 632.58 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID88565884
Molecular FormulaC28H31F7N6O3
Molecular Weight632.58 g/mol
Exact Mass632.23
IUPAC Name5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3nc(OCC(F)F)c(C(=O)NC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1F
InChIInChI=1S/C28H31F7N6O3/c1-27(2,3)25(43)36-11-13-4-9-17(29)21(20(13)32)39-26-38-18-10-16(24(40-22(18)41-26)44-12-19(30)31)23(42)37-15-7-5-14(6-8-15)28(33,34)35/h4,9-10,14-15,19H,5-8,11-12H2,1-3H3,(H,36,43)(H,37,42)(H2,38,39,40,41)
InChIKeyQFLKABUOSAUHDP-UHFFFAOYSA-N
XLogP6.14
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.58
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88565930
2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88565949
2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 158847867
2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 87422331
2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88573739
5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88573748
2-[2,6-dichloro-3-[(3,3,3-trifluoropropanoylamino)methyl]anilino]-5-(2,2-difluoroethoxy)-N-[[4-(trifluoromethyl)cyclohexylidene]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 123315072
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
2-[2,6-dichloro-3-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]anilino]-6-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-3H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159192083
2-methylpropyl N-[[2,4-dichloro-5-fluoro-3-[[5-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]phenyl]methyl]carbamate
CID 123667811
2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 56836667
2-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]-1-methylbenzimidazole-5-carboxamide
CID 88865644

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88565884) is 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3nc(OCC(F)F)c(C(=O)NC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QFLKABUOSAUHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F7N6O3/c1-27(2,3)25(43)36-11-13-4-9-17(29)21(20(13)32)39-26-38-18-10-16(24(40-22(18)41-26)44-12-19(30)31)23(42)37-15-7-5-14(6-8-15)28(33,34)35/h4,9-10,14-15,19H,5-8,11-12H2,1-3H3,(H,36,43)(H,37,42)(H2,38,39,40,41).
What are the key properties of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 632.58 g/mol, XLogP of 6.14, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88565884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).