3-(2-Chloro-4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-B]pyridine

HCID 21876090

Notes Reactions

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Basic information

Standard SMILES: CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIKey: GJWKDCDREDRKAV-UHFFFAOYSA-N
Molecular formula: C26H28ClN5O3S
Average molar mass: 526.1 g/mol

Names & identifiers

Preferred name: 3-(2-Chloro-4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-B]pyridine
IUPAC: 1-[2-[3-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

Names & synonyms

SCHEMBL1626326GJWKDCDREDRKAV-UHFFFAOYSA-N3-(2-CHLORO-4-{2-[({[(4-METHYLPHENYL)SULFONYL]AMINO}CARBONYL)AMINO]ETHYL}PHENYL)-2-ETHYL-5,7-DIMETHYL-3H-IMIDAZO[4,5-B]PYRIDINE

Database identifiers

PubChem CID: 21876090

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 114 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 847

Related reactions

2 records

New reaction record

HRID 50449As productuspto-grants-2004_03

HRID 675589As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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