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

HCID 16005236
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Basic information

Standard SMILES
CS(=O)(=O)c1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)cc1
InChIKey
FXNONUWYVQTUEQ-UHFFFAOYSA-N
Molecular formula
C25H19ClN4O3S
Average molar mass
491 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL4476907FXNONUWYVQTUEQ-UHFFFAOYSA-N7-(4-chlorophenyl)-2-(4-(methylsufonyl)benzyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one

Database identifiers

PubChem CID
16005236

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
91.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

Related reactions

4 records
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Linked notes

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