6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H24N4O — CID 135407177

IUPAC6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1
InChIInChI=1S/C17H24N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h11-13H,1-10H2,(H,19,20,22)
InChIKeyVWQYGWICBIKZQO-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.36
Rot. Bonds3

About 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135407177) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135407177
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1
InChIInChI=1S/C17H24N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h11-13H,1-10H2,(H,19,20,22)
InChIKeyVWQYGWICBIKZQO-UHFFFAOYSA-N
XLogP3.36
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135407177) is 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VWQYGWICBIKZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h11-13H,1-10H2,(H,19,20,22).
What are the key properties of 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135407177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).