6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H20N4O — CID 135732721

IUPAC6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2C=CCC2)nc2c1cnn2C1CCCC1
InChIInChI=1S/C16H20N4O/c21-16-13-10-17-20(12-7-3-4-8-12)15(13)18-14(19-16)9-11-5-1-2-6-11/h1,5,10-12H,2-4,6-9H2,(H,18,19,21)
InChIKeyKIDQOAJBNXNQBE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds3

About 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135732721) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135732721
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2C=CCC2)nc2c1cnn2C1CCCC1
InChIInChI=1S/C16H20N4O/c21-16-13-10-17-20(12-7-3-4-8-12)15(13)18-14(19-16)9-11-5-1-2-6-11/h1,5,10-12H,2-4,6-9H2,(H,18,19,21)
InChIKeyKIDQOAJBNXNQBE-UHFFFAOYSA-N
XLogP2.74
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-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 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135732721) is 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(CC2C=CCC2)nc2c1cnn2C1CCCC1.
What is the InChIKey of 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KIDQOAJBNXNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16-13-10-17-20(12-7-3-4-8-12)15(13)18-14(19-16)9-11-5-1-2-6-11/h1,5,10-12H,2-4,6-9H2,(H,18,19,21).
What are the key properties of 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135732721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).