6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C23H14F2N4O — CID 1068283

IUPAC6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14F2N4O/c24-15-10-12-16(13-11-15)28-21(18-8-4-5-9-20(18)25)27-22-19(23(28)30)14-26-29(22)17-6-2-1-3-7-17/h1-14H
InChIKeyISKBCNMOTUDCIK-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.52
Rot. Bonds3

About 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1068283) has the molecular formula C23H14F2N4O and a molecular weight of 400.39 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1068283
Molecular FormulaC23H14F2N4O
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14F2N4O/c24-15-10-12-16(13-11-15)28-21(18-8-4-5-9-20(18)25)27-22-19(23(28)30)14-26-29(22)17-6-2-1-3-7-17/h1-14H
InChIKeyISKBCNMOTUDCIK-UHFFFAOYSA-N
XLogP4.52
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-fluorophenyl)-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-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 1068283) is 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccc(F)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ISKBCNMOTUDCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O/c24-15-10-12-16(13-11-15)28-21(18-8-4-5-9-20(18)25)27-22-19(23(28)30)14-26-29(22)17-6-2-1-3-7-17/h1-14H.
What are the key properties of 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.39 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1068283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).