5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C29H31F8N5O4 — CID 148657124

IUPAC5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESC[C@H](O)C(=O)NCc1ccc(C(F)(F)F)c(Cc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(OCC(F)F)nc3n2C)c1
InChIInChI=1S/C29H31F8N5O4/c1-14(43)25(44)38-12-15-3-8-20(29(35,36)37)16(9-15)10-23-40-21-11-19(27(46-13-22(30)31)41-24(21)42(23)2)26(45)39-18-6-4-17(5-7-18)28(32,33)34/h3,8-9,11,14,17-18,22,43H,4-7,10,12-13H2,1-2H3,(H,38,44)(H,39,45)/t14-,17?,18?/m0/s1
InChIKeyNNBLBKNSRIUIOU-NNGSBXSVSA-N
MW665.58 g/mol
LogP5.07
Rot. Bonds10

About 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 148657124) has the molecular formula C29H31F8N5O4 and a molecular weight of 665.58 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID148657124
Molecular FormulaC29H31F8N5O4
Molecular Weight665.58 g/mol
Exact Mass665.22
IUPAC Name5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESC[C@H](O)C(=O)NCc1ccc(C(F)(F)F)c(Cc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(OCC(F)F)nc3n2C)c1
InChIInChI=1S/C29H31F8N5O4/c1-14(43)25(44)38-12-15-3-8-20(29(35,36)37)16(9-15)10-23-40-21-11-19(27(46-13-22(30)31)41-24(21)42(23)2)26(45)39-18-6-4-17(5-7-18)28(32,33)34/h3,8-9,11,14,17-18,22,43H,4-7,10,12-13H2,1-2H3,(H,38,44)(H,39,45)/t14-,17?,18?/m0/s1
InChIKeyNNBLBKNSRIUIOU-NNGSBXSVSA-N
XLogP5.07
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.58
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 162248664
2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 146739157
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-[[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-[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
6-(2,2-difluoroethoxy)-2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-(trifluoromethyl)anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 46909028
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-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836296
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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 148657124) is 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is C[C@H](O)C(=O)NCc1ccc(C(F)(F)F)c(Cc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(OCC(F)F)nc3n2C)c1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NNBLBKNSRIUIOU-NNGSBXSVSA-N. The full InChI is InChI=1S/C29H31F8N5O4/c1-14(43)25(44)38-12-15-3-8-20(29(35,36)37)16(9-15)10-23-40-21-11-19(27(46-13-22(30)31)41-24(21)42(23)2)26(45)39-18-6-4-17(5-7-18)28(32,33)34/h3,8-9,11,14,17-18,22,43H,4-7,10,12-13H2,1-2H3,(H,38,44)(H,39,45)/t14-,17?,18?/m0/s1.
What are the key properties of 5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 665.58 g/mol, XLogP of 5.07, 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-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 148657124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).