3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C23H18ClF3N4O3S — CID 22387778

IUPAC3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(C(F)(F)F)cc4Cl)c3n2)cc1
InChIInChI=1S/C23H18ClF3N4O3S/c1-13-3-7-17(8-4-13)35(33,34)30-22(32)20-10-9-19-21(29-20)31(14(2)28-19)12-15-5-6-16(11-18(15)24)23(25,26)27/h3-11H,12H2,1-2H3,(H,30,32)
InChIKeyQONYKZVJDQNGSS-UHFFFAOYSA-N
MW522.94 g/mol
LogP4.89
Rot. Bonds5

About 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22387778) has the molecular formula C23H18ClF3N4O3S and a molecular weight of 522.94 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22387778
Molecular FormulaC23H18ClF3N4O3S
Molecular Weight522.94 g/mol
Exact Mass522.07
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(C(F)(F)F)cc4Cl)c3n2)cc1
InChIInChI=1S/C23H18ClF3N4O3S/c1-13-3-7-17(8-4-13)35(33,34)30-22(32)20-10-9-19-21(29-20)31(14(2)28-19)12-15-5-6-16(11-18(15)24)23(25,26)27/h3-11H,12H2,1-2H3,(H,30,32)
InChIKeyQONYKZVJDQNGSS-UHFFFAOYSA-N
XLogP4.89
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-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 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22387778) is 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(C(F)(F)F)cc4Cl)c3n2)cc1.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is QONYKZVJDQNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O3S/c1-13-3-7-17(8-4-13)35(33,34)30-22(32)20-10-9-19-21(29-20)31(14(2)28-19)12-15-5-6-16(11-18(15)24)23(25,26)27/h3-11H,12H2,1-2H3,(H,30,32).
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 522.94 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22387778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).