5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C25H20N4O — CID 4612081

IUPAC5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)23-27-24-22(16-26-29(24)20-8-4-3-5-9-20)25(30)28(23)21-10-6-7-18(2)15-21/h3-16H,1-2H3
InChIKeySALFRPOHLBLOIS-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.86
Rot. Bonds3

About 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 4612081) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID4612081
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)23-27-24-22(16-26-29(24)20-8-4-3-5-9-20)25(30)28(23)21-10-6-7-18(2)15-21/h3-16H,1-2H3
InChIKeySALFRPOHLBLOIS-UHFFFAOYSA-N
XLogP4.86
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 4612081) is 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)cc1.
What is the InChIKey of 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SALFRPOHLBLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)23-27-24-22(16-26-29(24)20-8-4-3-5-9-20)25(30)28(23)21-10-6-7-18(2)15-21/h3-16H,1-2H3.
What are the key properties of 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 392.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 4612081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).