6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C23H14BrFN4O — CID 2047210

IUPAC6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14BrFN4O/c24-16-8-6-15(7-9-16)21-27-22-20(14-26-29(22)19-4-2-1-3-5-19)23(30)28(21)18-12-10-17(25)11-13-18/h1-14H
InChIKeyWPQHRZBAWPIZPT-UHFFFAOYSA-N
MW461.29 g/mol
LogP5.14
Rot. Bonds3

About 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2047210) has the molecular formula C23H14BrFN4O and a molecular weight of 461.29 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2047210
Molecular FormulaC23H14BrFN4O
Molecular Weight461.29 g/mol
Exact Mass460.03
IUPAC Name6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14BrFN4O/c24-16-8-6-15(7-9-16)21-27-22-20(14-26-29(22)19-4-2-1-3-5-19)23(30)28(21)18-12-10-17(25)11-13-18/h1-14H
InChIKeyWPQHRZBAWPIZPT-UHFFFAOYSA-N
XLogP5.14
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.29
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2047210) is 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WPQHRZBAWPIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrFN4O/c24-16-8-6-15(7-9-16)21-27-22-20(14-26-29(22)19-4-2-1-3-5-19)23(30)28(21)18-12-10-17(25)11-13-18/h1-14H.
What are the key properties of 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 461.29 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2047210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).