5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C30H33N5O3 — CID 155163147

IUPAC5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(C1CCC(O)CC1c1ccccc1)N1CCC(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C30H33N5O3/c36-24-11-12-25(26(17-24)22-7-3-1-4-8-22)29(37)33-15-13-21(14-16-33)19-34-20-31-28-27(30(34)38)18-32-35(28)23-9-5-2-6-10-23/h1-10,18,20-21,24-26,36H,11-17,19H2
InChIKeyZBTNPRFEKAOUAU-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.77
Rot. Bonds5

About 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155163147) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID155163147
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(C1CCC(O)CC1c1ccccc1)N1CCC(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C30H33N5O3/c36-24-11-12-25(26(17-24)22-7-3-1-4-8-22)29(37)33-15-13-21(14-16-33)19-34-20-31-28-27(30(34)38)18-32-35(28)23-9-5-2-6-10-23/h1-10,18,20-21,24-26,36H,11-17,19H2
InChIKeyZBTNPRFEKAOUAU-UHFFFAOYSA-N
XLogP3.77
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155947667
N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide
CID 155163125
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 40953534
1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146444579
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679911
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882325

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 155163147) is 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(C1CCC(O)CC1c1ccccc1)N1CCC(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1.
What is the InChIKey of 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZBTNPRFEKAOUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c36-24-11-12-25(26(17-24)22-7-3-1-4-8-22)29(37)33-15-13-21(14-16-33)19-34-20-31-28-27(30(34)38)18-32-35(28)23-9-5-2-6-10-23/h1-10,18,20-21,24-26,36H,11-17,19H2.
What are the key properties of 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 511.63 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155163147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).