6-(4-Bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
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Basic information
- CAS
403797-13-7- Standard SMILES
O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1- InChIKey
WPQHRZBAWPIZPT-UHFFFAOYSA-N- Molecular formula
- C23H14BrFN4O
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 460.0335
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
- English name
- 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- Molecular formula
- C23H14BrFN4O
- Molecular weight
- 461.29
Names & synonyms
6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneOprea1_602996SCHEMBL2117564MFCD02636898AKOS001656654AP-064/14765075SR-01000462434SR-01000462434-1403797-13-76-(4-BROMOPHENYL)-5-(4-FLUOROPHENYL)-1-PHENYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-(4-bromophenyl)-5-(4-fluorophenyl)-1,5-dihydro-1-phenyl-
Database identifiers
- CAS
403797-13-7- PubChem CID
- 2047210
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Boiling point
- 609.5 · 609.5±65.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 2.85 · 2.85±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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