Basic information
- Standard SMILES
OCc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1- InChIKey
LOEFOBXQZRBILE-UHFFFAOYSA-N- Molecular formula
- C24H18FN5O
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- (2-{2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}phenyl)-methanol
- IUPAC
- [2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol
Names & synonyms
SCHEMBL5779496LOEFOBXQZRBILE-UHFFFAOYSA-N(2-{2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}phenyl)-methanol
Database identifiers
- PubChem CID
- 21983543
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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