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

C24H17ClN4O — CID 2274955

IUPAC5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H17ClN4O/c1-16-10-12-17(13-11-16)22-27-23-21(15-26-29(23)19-7-3-2-4-8-19)24(30)28(22)20-9-5-6-18(25)14-20/h2-15H,1H3
InChIKeyPFIRLQMLQPBDIH-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.20
Rot. Bonds3

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

5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2274955) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2274955
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H17ClN4O/c1-16-10-12-17(13-11-16)22-27-23-21(15-26-29(23)19-7-3-2-4-8-19)24(30)28(22)20-9-5-6-18(25)14-20/h2-15H,1H3
InChIKeyPFIRLQMLQPBDIH-UHFFFAOYSA-N
XLogP5.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-6-(4-methylphenyl)-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

Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
1-Tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 16193594
1-(4-Fluorophenyl)-6-methyl-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3242334
6-(3-Methylphenyl)-5-(4-methylphenyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 1347663
5-(4-Chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 2275223
7-Chloro-10-methyl-2-[[4-(morpholinomethyl)phenyl]methyl]-5-phenyl-pyrazolo[3,4-b][1,5]benzodiazepin-4-one
CID 53326415
5-(3-Chlorophenyl)-6-[(3-fluorophenyl)methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 132260031
6-methyl-1-phenyl-5-[(phenylmethylene)amino]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9583777
1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135399103
2-[1-(2-Chloro-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 648379

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2274955) is 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PFIRLQMLQPBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c1-16-10-12-17(13-11-16)22-27-23-21(15-26-29(23)19-7-3-2-4-8-19)24(30)28(22)20-9-5-6-18(25)14-20/h2-15H,1H3.
What are the key properties of 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 412.88 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2274955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).