1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C18H12Cl2N4O — CID 6623238

IUPAC1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N4O/c19-13-3-1-12(2-4-13)10-23-11-21-17-16(18(23)25)9-22-24(17)15-7-5-14(20)6-8-15/h1-9,11H,10H2
InChIKeyJOQVWMPZVYMETB-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 6623238) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID6623238
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N4O/c19-13-3-1-12(2-4-13)10-23-11-21-17-16(18(23)25)9-22-24(17)15-7-5-14(20)6-8-15/h1-9,11H,10H2
InChIKeyJOQVWMPZVYMETB-UHFFFAOYSA-N
XLogP3.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[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 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 6623238) is 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JOQVWMPZVYMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-13-3-1-12(2-4-13)10-23-11-21-17-16(18(23)25)9-22-24(17)15-7-5-14(20)6-8-15/h1-9,11H,10H2.
What are the key properties of 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 371.23 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 6623238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).