7-(4-Chlorophenyl)-2-(4-(ethylsulfonyl)benzyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one

HCID 16005238
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Basic information

Standard SMILES
CCS(=O)(=O)c1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)cc1
InChIKey
OOKWRGIUJBUYNW-UHFFFAOYSA-N
Molecular formula
C26H21ClN4O3S
Average molar mass
505 g/mol

Names & identifiers

Preferred name
7-(4-Chlorophenyl)-2-(4-(ethylsulfonyl)benzyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one
IUPAC
7-(4-chlorophenyl)-2-[(4-ethylsulfonylphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

SCHEMBL4493895OOKWRGIUJBUYNW-UHFFFAOYSA-N7-(4-chlorophenyl)-2-(4-(ethylsulfonyl)benzyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one

Database identifiers

PubChem CID
16005238

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
91.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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