7-(4-chlorophenyl)-5-methyl-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799399
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Basic information

Standard SMILES
Cc1cc(-c2ccc(Cl)cc2)c(-c2ccncc2)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12
InChIKey
NOZSIIFUPLKCLL-UHFFFAOYSA-N
Molecular formula
C25H17ClF3N5O
Average molar mass
495.9 g/mol
Monoisotopic mass
495.1073724

Names & identifiers

Preferred name
7-(4-chlorophenyl)-5-methyl-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC
7-(4-chlorophenyl)-5-methyl-8-pyridin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

7-(4-chlorophenyl)-5-methyl-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4469608

Database identifiers

PubChem CID
57799399

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
61.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
35

Related reactions

2 records
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Compound notes

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