2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C25H17Cl2F7N6O3 — CID 56836587

IUPAC2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2[nH]c(Nc3c(Cl)ccc(CNC(=O)C(F)F)c3Cl)nc2nc1OCC(F)F
InChIInChI=1S/C25H17Cl2F7N6O3/c26-14-6-1-10(8-35-22(42)19(30)31)17(27)18(14)38-24-37-15-7-13(23(39-20(15)40-24)43-9-16(28)29)21(41)36-12-4-2-11(3-5-12)25(32,33)34/h1-7,16,19H,8-9H2,(H,35,42)(H,36,41)(H2,37,38,39,40)
InChIKeyIQVMGEMHNDNNFT-UHFFFAOYSA-N
MW653.34 g/mol
LogP6.80
Rot. Bonds10

About 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 56836587) has the molecular formula C25H17Cl2F7N6O3 and a molecular weight of 653.34 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID56836587
Molecular FormulaC25H17Cl2F7N6O3
Molecular Weight653.34 g/mol
Exact Mass652.06
IUPAC Name2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2[nH]c(Nc3c(Cl)ccc(CNC(=O)C(F)F)c3Cl)nc2nc1OCC(F)F
InChIInChI=1S/C25H17Cl2F7N6O3/c26-14-6-1-10(8-35-22(42)19(30)31)17(27)18(14)38-24-37-15-7-13(23(39-20(15)40-24)43-9-16(28)29)21(41)36-12-4-2-11(3-5-12)25(32,33)34/h1-7,16,19H,8-9H2,(H,35,42)(H,36,41)(H2,37,38,39,40)
InChIKeyIQVMGEMHNDNNFT-UHFFFAOYSA-N
XLogP6.80
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.34
LogP ≤ 56.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

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
N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 45137376
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
N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 45137235
2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 67376068
2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 88573308
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
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-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)-2-[5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-2-(trifluoromethyl)anilino]-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836101
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836296
2-[2,6-dichloro-3-[(3,3,3-trifluoropropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-3H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 148959225

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 56836587) is 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2[nH]c(Nc3c(Cl)ccc(CNC(=O)C(F)F)c3Cl)nc2nc1OCC(F)F.
What is the InChIKey of 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IQVMGEMHNDNNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2F7N6O3/c26-14-6-1-10(8-35-22(42)19(30)31)17(27)18(14)38-24-37-15-7-13(23(39-20(15)40-24)43-9-16(28)29)21(41)36-12-4-2-11(3-5-12)25(32,33)34/h1-7,16,19H,8-9H2,(H,35,42)(H,36,41)(H2,37,38,39,40).
What are the key properties of 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 653.34 g/mol, XLogP of 6.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 56836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).