5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C17H18N4O2 — CID 145469507

IUPAC5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3cccc(O)c3)c2ncn1C1CCCCC1
InChIInChI=1S/C17H18N4O2/c22-14-8-4-7-13(9-14)21-16-15(10-19-21)17(23)20(11-18-16)12-5-2-1-3-6-12/h4,7-12,22H,1-3,5-6H2
InChIKeyJCHFQQNMQMPPDQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds2

About 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 145469507) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID145469507
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3cccc(O)c3)c2ncn1C1CCCCC1
InChIInChI=1S/C17H18N4O2/c22-14-8-4-7-13(9-14)21-16-15(10-19-21)17(23)20(11-18-16)12-5-2-1-3-6-12/h4,7-12,22H,1-3,5-6H2
InChIKeyJCHFQQNMQMPPDQ-UHFFFAOYSA-N
XLogP2.79
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclohexyl-1-(3-hydroxyphenyl)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

Related Compounds

5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7599760
(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
CID 41427577
5-[[4-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methyl]-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121436210
ethane;5-[[4-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methyl]-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 145116358
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243697
5-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 59355040
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 112772732
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679911
3-cyclobutylquinazolin-4-one
CID 171781936

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 145469507) is 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3cccc(O)c3)c2ncn1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JCHFQQNMQMPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-14-8-4-7-13(9-14)21-16-15(10-19-21)17(23)20(11-18-16)12-5-2-1-3-6-12/h4,7-12,22H,1-3,5-6H2.
What are the key properties of 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 145469507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).