3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-N-methyl-6-(trifluoromethyl)picolinamide
Basic information
- Standard SMILES
CNC(=O)c1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=O- InChIKey
LUNNGRLAUPICKL-UHFFFAOYSA-N- Molecular formula
- C26H18ClF3N6O2
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 538.113186
Names & identifiers
- Preferred name
- 3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-N-methyl-6-(trifluoromethyl)picolinamide
- IUPAC
- 3-[[7-(4-chlorophenyl)-3-oxo-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
Names & synonyms
3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-N-methyl-6-(trifluoromethyl)picolinamideSCHEMBL4469342
Database identifiers
- PubChem CID
- 57799413
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,020
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Related reactions
1 records
Compound notes
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