Basic information
- Standard SMILES
CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C(C)C)nc2N1c1cccc(C(F)(F)F)c1- InChIKey
JNYAEGMSDKJTML-OAQYLSRUSA-N- Molecular formula
- C25H20F3N7O
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.16814277
Names & identifiers
- Preferred name
- N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methylpropanamide
- IUPAC
- N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
Names & synonyms
N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methylpropanamideSCHEMBL229417
Database identifiers
- PubChem CID
- 66627872
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 969
Related reactions
2 records
Compound notes
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