Basic information
- Standard SMILES
CCN1CCc2c(c(-c3cc(F)ccc3F)nn2C(=O)N[C@H](C(=O)O)C(C)(C)C)C1- InChIKey
AQHKWTKBNQSBLZ-GOSISDBHSA-N- Molecular formula
- C21H26F2N4O3
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-(3-(2,5-difluorophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamido)-3,3-dimethylbutanoic acid
- IUPAC
- (2S)-2-[[3-(2,5-difluorophenyl)-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
Names & synonyms
SCHEMBL1335476AQHKWTKBNQSBLZ-GOSISDBHSA-N(S)-2-(3-(2,5-difluorophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamido)-3,3-dimethylbutanoic acid
Database identifiers
- PubChem CID
- 59345336
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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