Basic information
- Standard SMILES
CCN1CCc2c(c(-c3cc(F)ccc3F)nn2C(=O)N[C@H](C(=O)NC)C(C)(C)C)C1- InChIKey
XLCDOOYQGYOCBR-LJQANCHMSA-N- Molecular formula
- C22H29F2N5O2
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-(2,5-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
- IUPAC
- 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide
Names & synonyms
SCHEMBL1336993XLCDOOYQGYOCBR-LJQANCHMSA-N(S)-3-(2,5-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
Database identifiers
- PubChem CID
- 46862674
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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