6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H24N4O — CID 142964101

IUPAC6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1=CC=CCC1n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C19H24N4O/c1-13-7-5-6-10-16(13)23-18-15(12-20-23)19(24)22-17(21-18)11-14-8-3-2-4-9-14/h5-7,12,14,16H,2-4,8-11H2,1H3,(H,21,22,24)
InChIKeySRPVEKWKRREMAQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.69
Rot. Bonds3

About 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 142964101) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID142964101
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1=CC=CCC1n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C19H24N4O/c1-13-7-5-6-10-16(13)23-18-15(12-20-23)19(24)22-17(21-18)11-14-8-3-2-4-9-14/h5-7,12,14,16H,2-4,8-11H2,1H3,(H,21,22,24)
InChIKeySRPVEKWKRREMAQ-UHFFFAOYSA-N
XLogP3.69
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142874925
6-(cyclopropylmethyl)-1-(thian-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908601
6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 143871185
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135495111
1-cyclopentyl-6-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136627768
1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137002480
6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908672
6-[(3,5-dichlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908596
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
1-(oxan-4-yl)-6-(3,3,3-trifluoropropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908588
2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
CID 167937950

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 142964101) is 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1=CC=CCC1n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21.
What is the InChIKey of 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SRPVEKWKRREMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-7-5-6-10-16(13)23-18-15(12-20-23)19(24)22-17(21-18)11-14-8-3-2-4-9-14/h5-7,12,14,16H,2-4,8-11H2,1H3,(H,21,22,24).
What are the key properties of 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 324.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 142964101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).