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

C15H22N4O — CID 142874925

IUPAC6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C15H22N4O/c1-2-8-19-14-12(10-16-19)15(20)18-13(17-14)9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,17,18,20)
InChIKeyMEZNKDSXFUJARI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.65
Rot. Bonds4

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

6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 142874925) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID142874925
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C15H22N4O/c1-2-8-19-14-12(10-16-19)15(20)18-13(17-14)9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,17,18,20)
InChIKeyMEZNKDSXFUJARI-UHFFFAOYSA-N
XLogP2.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142964101
8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
CID 115925466
6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135495111
6-(cyclopropylmethyl)-1-(thian-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908601
5-cyclohexyl-1-propyl-4H-imidazo[4,5-d]pyrazole
CID 135892905
6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 143871185
6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135518148
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
6-[[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820821
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
CID 167937950
1-tert-butyl-6-[cyclohexylmethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136523181

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 142874925) is 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCn1ncc2c(=O)[nH]c(CC3CCCCC3)nc21.
What is the InChIKey of 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MEZNKDSXFUJARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-8-19-14-12(10-16-19)15(20)18-13(17-14)9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,17,18,20).
What are the key properties of 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 274.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 142874925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).