Basic information
- Standard SMILES
CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C3(C)CC3(F)F)nc2N1c1cccc(C(F)(F)F)c1- InChIKey
MMCLRAUQSBNGNW-CGHJUBPDSA-N- Molecular formula
- C26H18F5N7O
- Average molar mass
- 539.5 g/mol
- Monoisotopic mass
- 539.14929903
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}-2,2-difluoro-1-methylcyclopropanecarboxamide
- 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]-2,2-difluoro-1-methylcyclopropane-1-carboxamide
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}-2,2-difluoro-1-methylcyclopropanecarboxamideSCHEMBL231867
Database identifiers
- PubChem CID
- 66628463
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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