5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C28H18ClN5O — CID 11518533

IUPAC5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(-c3ccccn3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C28H18ClN5O/c29-21-13-15-22(16-14-21)33-26(20-11-9-19(10-12-20)25-8-4-5-17-30-25)32-27-24(28(33)35)18-31-34(27)23-6-2-1-3-7-23/h1-18H
InChIKeyAYQHUZFQDJAIHP-UHFFFAOYSA-N
MW475.94 g/mol
LogP5.95
Rot. Bonds4

About 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 11518533) has the molecular formula C28H18ClN5O and a molecular weight of 475.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID11518533
Molecular FormulaC28H18ClN5O
Molecular Weight475.94 g/mol
Exact Mass475.12
IUPAC Name5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(-c3ccccn3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C28H18ClN5O/c29-21-13-15-22(16-14-21)33-26(20-11-9-19(10-12-20)25-8-4-5-17-30-25)32-27-24(28(33)35)18-31-34(27)23-6-2-1-3-7-23/h1-18H
InChIKeyAYQHUZFQDJAIHP-UHFFFAOYSA-N
XLogP5.95
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 11518533) is 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(-c3ccccn3)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AYQHUZFQDJAIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN5O/c29-21-13-15-22(16-14-21)33-26(20-11-9-19(10-12-20)25-8-4-5-17-30-25)32-27-24(28(33)35)18-31-34(27)23-6-2-1-3-7-23/h1-18H.
What are the key properties of 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 475.94 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-phenyl-6-(4-pyridin-2-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 11518533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).