Basic information
- Standard SMILES
Nc1ncnc2[nH]nc(-c3cc(F)cc(OCc4ccccc4)c3)c12- InChIKey
XWZQJNRWSMMZIT-UHFFFAOYSA-N- Molecular formula
- C18H14FN5O
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 335.11823825
Names & identifiers
- Preferred name
- 3-(3-(benzyloxy)-5-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-(3-fluoro-5-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
3-(3-(benzyloxy)-5-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineSCHEMBL16783578XWZQJNRWSMMZIT-UHFFFAOYSA-NDB-1646981799426-38-2
Database identifiers
- PubChem CID
- 118131208
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Related reactions
5 records
Compound notes
Loading…