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

HCID 57799416
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Basic information

Standard SMILES
Cc1cc(-c2ccc(Cl)cc2)c(-c2ccncc2)c2nn(Cc3ccc(C#N)cn3)c(=O)n12
InChIKey
MFVLVGYAUDLMJJ-UHFFFAOYSA-N
Molecular formula
C25H17ClN6O
Average molar mass
452.9 g/mol

Names & identifiers

Preferred name
6-((7-(4-chlorophenyl)-5-methyl-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile
IUPAC
6-[[7-(4-chlorophenyl)-5-methyl-3-oxo-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL4478401MFVLVGYAUDLMJJ-UHFFFAOYSA-N6-((7-(4-chlorophenyl)-5-methyl-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile

Database identifiers

PubChem CID
57799416

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
85.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
33

Related reactions

2 records
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Compound notes

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