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

HCID 16005200
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1ccc(-c2c(-c3ccc(Cl)cc3)ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4C)nc23)cc1
InChIKey
YKWBBZJRWWDDNT-UHFFFAOYSA-N
Molecular formula
C28H22ClF3N4O2
Average molar mass
538.9 g/mol
Monoisotopic mass
538.1383381

Names & identifiers

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

Names & synonyms

7-(4-chlorophenyl)-8-(4-(methoxymethyl)phenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4481654

Database identifiers

PubChem CID
16005200

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
58 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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