Basic information
- Standard SMILES
CCOC(=O)c1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cc(F)cc(C#N)c3)cc12- InChIKey
IYTPNLWJOBUPEL-LJQANCHMSA-N- Molecular formula
- C21H17F3N4O2
- Average molar mass
- 414.4 g/mol
Names & identifiers
- Preferred name
- (R)-ethyl 5-(2-(3-cyano-5-fluorophenyl)-4,4-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
- IUPAC
- ethyl 5-[(2R)-2-(3-cyano-5-fluorophenyl)-4,4-difluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
Names & synonyms
(R)-ethyl 5-(2-(3-cyano-5-fluorophenyl)-4,4-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxylateSCHEMBL12687978
Database identifiers
- PubChem CID
- 60171438
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Linked notes
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