Basic information
- Standard SMILES
CN1CCc2c(c(-c3cc(F)ccc3F)nn2C(=O)N[C@H](C(=O)O)C(C)(C)C)C1- InChIKey
CRBFUMVZNIODNT-QGZVFWFLSA-N- Molecular formula
- C20H24F2N4O3
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(3-(2,5-difluorophenyl)-5-methyl-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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
Names & synonyms
SCHEMBL1337570CRBFUMVZNIODNT-QGZVFWFLSA-N(S)-2-(3-(2,5-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamido)-3,3-dimethylbutanoic acid
Database identifiers
- PubChem CID
- 46862776
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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