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

C24H17BrN4O — CID 2274831

IUPAC5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)c1
InChIInChI=1S/C24H17BrN4O/c1-16-6-5-7-17(14-16)22-27-23-21(15-26-29(23)20-8-3-2-4-9-20)24(30)28(22)19-12-10-18(25)11-13-19/h2-15H,1H3
InChIKeyMNJDBHHGQPLUDS-UHFFFAOYSA-N
MW457.33 g/mol
LogP5.31
Rot. Bonds3

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

5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2274831) has the molecular formula C24H17BrN4O and a molecular weight of 457.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2274831
Molecular FormulaC24H17BrN4O
Molecular Weight457.33 g/mol
Exact Mass456.06
IUPAC Name5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)c1
InChIInChI=1S/C24H17BrN4O/c1-16-6-5-7-17(14-16)22-27-23-21(15-26-29(23)20-8-3-2-4-9-20)24(30)28(22)19-12-10-18(25)11-13-19/h2-15H,1H3
InChIKeyMNJDBHHGQPLUDS-UHFFFAOYSA-N
XLogP5.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2274831) is 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)c1.
What is the InChIKey of 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MNJDBHHGQPLUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O/c1-16-6-5-7-17(14-16)22-27-23-21(15-26-29(23)20-8-3-2-4-9-20)24(30)28(22)19-12-10-18(25)11-13-19/h2-15H,1H3.
What are the key properties of 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 457.33 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2274831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).