6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H22N4O — CID 135410309

IUPAC6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3C=CCC3)nc21
InChIInChI=1S/C16H22N4O/c1-3-12(4-2)20-15-13(10-17-20)16(21)19-14(18-15)9-11-7-5-6-8-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,19,21)
InChIKeyKJPOHYCINXMVCC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.99
Rot. Bonds5

About 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135410309) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135410309
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3C=CCC3)nc21
InChIInChI=1S/C16H22N4O/c1-3-12(4-2)20-15-13(10-17-20)16(21)19-14(18-15)9-11-7-5-6-8-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,19,21)
InChIKeyKJPOHYCINXMVCC-UHFFFAOYSA-N
XLogP2.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135410309) is 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(CC)n1ncc2c(=O)[nH]c(CC3C=CCC3)nc21.
What is the InChIKey of 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KJPOHYCINXMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12(4-2)20-15-13(10-17-20)16(21)19-14(18-15)9-11-7-5-6-8-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 2.99, 5 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-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135410309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).