2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C30H32F8N6O3 — CID 88864223

IUPAC2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3CCC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H32F8N6O3/c1-44-24-22(12-19(27(43-24)47-14-23(31)32)26(46)40-18-8-6-17(7-9-18)29(33,34)35)42-28(44)41-21-11-15(5-10-20(21)30(36,37)38)13-39-25(45)16-3-2-4-16/h5,10-12,16-18,23H,2-4,6-9,13-14H2,1H3,(H,39,45)(H,40,46)(H,41,42)
InChIKeyDPNSQACTIBZEID-UHFFFAOYSA-N
MW676.61 g/mol
LogP6.64
Rot. Bonds10

About 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88864223) has the molecular formula C30H32F8N6O3 and a molecular weight of 676.61 g/mol. Its IUPAC name is 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID88864223
Molecular FormulaC30H32F8N6O3
Molecular Weight676.61 g/mol
Exact Mass676.24
IUPAC Name2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3CCC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H32F8N6O3/c1-44-24-22(12-19(27(43-24)47-14-23(31)32)26(46)40-18-8-6-17(7-9-18)29(33,34)35)42-28(44)41-21-11-15(5-10-20(21)30(36,37)38)13-39-25(45)16-3-2-4-16/h5,10-12,16-18,23H,2-4,6-9,13-14H2,1H3,(H,39,45)(H,40,46)(H,41,42)
InChIKeyDPNSQACTIBZEID-UHFFFAOYSA-N
XLogP6.64
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.61
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-[[(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)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836296
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
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
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 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) is 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C3CCC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.
What is the InChIKey of 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is DPNSQACTIBZEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F8N6O3/c1-44-24-22(12-19(27(43-24)47-14-23(31)32)26(46)40-18-8-6-17(7-9-18)29(33,34)35)42-28(44)41-21-11-15(5-10-20(21)30(36,37)38)13-39-25(45)16-3-2-4-16/h5,10-12,16-18,23H,2-4,6-9,13-14H2,1H3,(H,39,45)(H,40,46)(H,41,42).
What are the key properties of 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 676.61 g/mol, XLogP of 6.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88864223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).