Basic information
- Standard SMILES
CNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(C(F)(F)F)cc2F)c2c1CCN(C)C2)C(C)(C)C- InChIKey
ZPIKFFVQSKBDKQ-GOSISDBHSA-N- Molecular formula
- C22H27F4N5O2
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- (S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
- IUPAC
- N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide
Names & synonyms
(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamideSCHEMBL1337580
Database identifiers
- PubChem CID
- 46862471
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 729
Related reactions
1 records
Compound notes
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