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

C24H17ClN4O — CID 2275223

IUPAC5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17ClN4O/c1-16-7-9-17(10-8-16)22-27-23-21(15-26-29(23)20-5-3-2-4-6-20)24(30)28(22)19-13-11-18(25)12-14-19/h2-15H,1H3
InChIKeyRVQDJZFMMGKQHZ-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.20
Rot. Bonds3

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

5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2275223) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2275223
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17ClN4O/c1-16-7-9-17(10-8-16)22-27-23-21(15-26-29(23)20-5-3-2-4-6-20)24(30)28(22)19-13-11-18(25)12-14-19/h2-15H,1H3
InChIKeyRVQDJZFMMGKQHZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2275223) is 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RVQDJZFMMGKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c1-16-7-9-17(10-8-16)22-27-23-21(15-26-29(23)20-5-3-2-4-6-20)24(30)28(22)19-13-11-18(25)12-14-19/h2-15H,1H3.
What are the key properties of 5-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-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-(4-chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2275223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).