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

C29H25F9N6O3 — CID 56836101

IUPAC5-(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
SMILESCn1c(Nc2cc(CNC(=O)C(C)(C)F)ccc2C(F)(F)F)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(OCC(F)F)nc21
InChIInChI=1S/C29H25F9N6O3/c1-27(2,32)25(46)39-12-14-4-9-18(29(36,37)38)19(10-14)41-26-42-20-11-17(24(47-13-21(30)31)43-22(20)44(26)3)23(45)40-16-7-5-15(6-8-16)28(33,34)35/h4-11,21H,12-13H2,1-3H3,(H,39,46)(H,40,45)(H,41,42)
InChIKeyDCWWBDOZQCFARJ-UHFFFAOYSA-N
MW676.54 g/mol
LogP7.01
Rot. Bonds10

About 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

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 (PubChem CID 56836101) has the molecular formula C29H25F9N6O3 and a molecular weight of 676.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID56836101
Molecular FormulaC29H25F9N6O3
Molecular Weight676.54 g/mol
Exact Mass676.18
IUPAC Name5-(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
SMILESCn1c(Nc2cc(CNC(=O)C(C)(C)F)ccc2C(F)(F)F)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(OCC(F)F)nc21
InChIInChI=1S/C29H25F9N6O3/c1-27(2,32)25(46)39-12-14-4-9-18(29(36,37)38)19(10-14)41-26-42-20-11-17(24(47-13-21(30)31)43-22(20)44(26)3)23(45)40-16-7-5-15(6-8-16)28(33,34)35/h4-11,21H,12-13H2,1-3H3,(H,39,46)(H,40,45)(H,41,42)
InChIKeyDCWWBDOZQCFARJ-UHFFFAOYSA-N
XLogP7.01
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.54
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[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
N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-1-(2,2-difluoroethyl)-2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-(trifluoromethyl)anilino]benzimidazole-5-carboxamide
CID 137477284
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-bromophenyl)-2-[2-chloro-5-[(2,2-difluoropropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908544
N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide
CID 123542883
6-(2,2-difluoroethoxy)-2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-(trifluoromethyl)anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 46909028
N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[4-[4-(trifluoromethyl)cyclohexyl]butyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
CID 123941872
N-(4-bromophenyl)-2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-(2,2-difluoroethyl)benzimidazole-5-carboxamide
CID 59529815
2-[5-(acetamidomethyl)-2-chloroanilino]-N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908737

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(Nc2cc(CNC(=O)C(C)(C)F)ccc2C(F)(F)F)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(OCC(F)F)nc21.
What is the InChIKey of 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?
The InChIKey is DCWWBDOZQCFARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F9N6O3/c1-27(2,32)25(46)39-12-14-4-9-18(29(36,37)38)19(10-14)41-26-42-20-11-17(24(47-13-21(30)31)43-22(20)44(26)3)23(45)40-16-7-5-15(6-8-16)28(33,34)35/h4-11,21H,12-13H2,1-3H3,(H,39,46)(H,40,45)(H,41,42).
What are the key properties of 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?
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 has a molecular weight of 676.54 g/mol, XLogP of 7.01, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56836101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).