2-(4-(7-(4-Chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)-2-hydroxyacetonitrile

HCID 16005197
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(O)c1ccc(-c2c(-c3ccc(Cl)cc3)ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4)nc23)cc1
InChIKey
CHDLQMYWAFQIBP-UHFFFAOYSA-N
Molecular formula
C27H17ClF3N5O2
Average molar mass
535.9 g/mol

Names & identifiers

Preferred name
2-(4-(7-(4-Chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)-2-hydroxyacetonitrile
IUPAC
2-[4-[7-(4-chlorophenyl)-3-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-2-hydroxyacetonitrile

Names & synonyms

2-(4-(7-(4-chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)-2-hydroxyacetonitrileSCHEMBL4472030SCHEMBL13763216

Database identifiers

PubChem CID
16005197

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
92.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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