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

C30H37F5N6O3 — CID 86669317

IUPAC5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)C(C)(C)C)c(C)c1Nc1nc2nc(OCC(F)F)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH]1
InChIInChI=1S/C30H37F5N6O3/c1-15-6-7-17(13-36-27(43)29(3,4)5)16(2)23(15)39-28-38-21-12-20(26(40-24(21)41-28)44-14-22(31)32)25(42)37-19-10-8-18(9-11-19)30(33,34)35/h6-7,12,18-19,22H,8-11,13-14H2,1-5H3,(H,36,43)(H,37,42)(H2,38,39,40,41)
InChIKeyNKBIELRROQLJMQ-UHFFFAOYSA-N
MW624.66 g/mol
LogP6.48
Rot. Bonds9

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

5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 86669317) has the molecular formula C30H37F5N6O3 and a molecular weight of 624.66 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-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-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID86669317
Molecular FormulaC30H37F5N6O3
Molecular Weight624.66 g/mol
Exact Mass624.28
IUPAC Name5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)C(C)(C)C)c(C)c1Nc1nc2nc(OCC(F)F)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH]1
InChIInChI=1S/C30H37F5N6O3/c1-15-6-7-17(13-36-27(43)29(3,4)5)16(2)23(15)39-28-38-21-12-20(26(40-24(21)41-28)44-14-22(31)32)25(42)37-19-10-8-18(9-11-19)30(33,34)35/h6-7,12,18-19,22H,8-11,13-14H2,1-5H3,(H,36,43)(H,37,42)(H2,38,39,40,41)
InChIKeyNKBIELRROQLJMQ-UHFFFAOYSA-N
XLogP6.48
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.66
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-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-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 86669317) is 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-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-dimethylanilino]-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-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccc(CNC(=O)C(C)(C)C)c(C)c1Nc1nc2nc(OCC(F)F)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH]1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NKBIELRROQLJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F5N6O3/c1-15-6-7-17(13-36-27(43)29(3,4)5)16(2)23(15)39-28-38-21-12-20(26(40-24(21)41-28)44-14-22(31)32)25(42)37-19-10-8-18(9-11-19)30(33,34)35/h6-7,12,18-19,22H,8-11,13-14H2,1-5H3,(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-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
5-(2,2-difluoroethoxy)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 624.66 g/mol, XLogP of 6.48, 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-dimethylanilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 86669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).