5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C21H13ClN4OS — CID 1068279

IUPAC5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClN4OS/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H
InChIKeyLAWJKUUBGLZSBZ-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.95
Rot. Bonds3

About 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1068279) has the molecular formula C21H13ClN4OS and a molecular weight of 404.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1068279
Molecular FormulaC21H13ClN4OS
Molecular Weight404.88 g/mol
Exact Mass404.05
IUPAC Name5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClN4OS/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H
InChIKeyLAWJKUUBGLZSBZ-UHFFFAOYSA-N
XLogP4.95
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 1068279) is 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LAWJKUUBGLZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4OS/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H.
What are the key properties of 5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-chlorophenyl)-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 404.88 g/mol, XLogP of 4.95, 3 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-thiophen-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1068279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).