6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H26N4O — CID 135422930

IUPAC6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
InChIKeyGXWSVMJGLJNVHK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.60
Rot. Bonds5

About 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135422930) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135422930
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
InChIKeyGXWSVMJGLJNVHK-UHFFFAOYSA-N
XLogP3.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135422930) is 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(CC)n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21.
What is the InChIKey of 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GXWSVMJGLJNVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22).
What are the key properties of 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135422930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).