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

C22H16ClF3N4O3S — CID 18369480

IUPACN-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)nc2n1Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H16ClF3N4O3S/c1-13-27-18-9-10-19(21(31)29-34(32,33)16-5-3-2-4-6-16)28-20(18)30(13)12-14-7-8-15(11-17(14)23)22(24,25)26/h2-11H,12H2,1H3,(H,29,31)
InChIKeyVPQRFNZINQQLLG-UHFFFAOYSA-N
MW508.91 g/mol
LogP4.58
Rot. Bonds5

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

N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 18369480) has the molecular formula C22H16ClF3N4O3S and a molecular weight of 508.91 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID18369480
Molecular FormulaC22H16ClF3N4O3S
Molecular Weight508.91 g/mol
Exact Mass508.06
IUPAC NameN-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)nc2n1Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H16ClF3N4O3S/c1-13-27-18-9-10-19(21(31)29-34(32,33)16-5-3-2-4-6-16)28-20(18)30(13)12-14-7-8-15(11-17(14)23)22(24,25)26/h2-11H,12H2,1H3,(H,29,31)
InChIKeyVPQRFNZINQQLLG-UHFFFAOYSA-N
XLogP4.58
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[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 N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide (CID 18369480) is N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide is Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)nc2n1Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is VPQRFNZINQQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O3S/c1-13-27-18-9-10-19(21(31)29-34(32,33)16-5-3-2-4-6-16)28-20(18)30(13)12-14-7-8-15(11-17(14)23)22(24,25)26/h2-11H,12H2,1H3,(H,29,31).
What are the key properties of N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide?
N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 508.91 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 18369480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).