Basic information
- Standard SMILES
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1- InChIKey
PIWHHONESBMIIR-DOTOQJQBSA-N- Molecular formula
- C20H22FN7O2
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- (S)-N-(5-((R)-2-(5-fluoropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
- IUPAC
- (3S)-N-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
Names & synonyms
SCHEMBL2243438CHEMBL3944177PIWHHONESBMIIR-DOTOQJQBSA-NBDBM136671US8865698, 88(S)-N-(5-((R)-2-(5-fluoropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
Database identifiers
- PubChem CID
- 58386263
- ChEMBL
CHEMBL3944177
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Related reactions
4 records
Compound notes
Loading…