Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C15H12ClF3N4O
- Molecular weight
- 356.73 g/mol
- IUPAC name
- 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
- SMILES
- C[C@H](CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3Cl)C(F)(F)F
- InChIKey
- WDJDFFUFZOPSJA-MRVPVSSYSA-N
- XLogP
- 3.6
- Polar surface area
- 57.1 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 356.06517334399996
Show 4 more facts
- chemical formula
- C₁₅H₁₂ClF₃N₄O
- canonical SMILES
- CC(CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3Cl)C(F)(F)F
- isomeric SMILES
- C[C@H](Cc1nc2n(-c3ccccc3Cl)[nH]cc-2c(=O)n1)C(F)(F)F
- Commons category
- BAY 73-6691
Sources (1)
via Wikidata · CC0