5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one

C16H18N4O2S — CID 97218600

IUPAC5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(C)c2ncn(C[C@H](O)c3ccccc3C)c(=O)c12
InChIInChI=1S/C16H18N4O2S/c1-10-6-4-5-7-11(10)12(21)8-20-9-17-14-13(16(20)22)15(23-3)18-19(14)2/h4-7,9,12,21H,8H2,1-3H3/t12-/m0/s1
InChIKeyMIVWGJAGMUUMLY-LBPRGKRZSA-N
MW330.41 g/mol
LogP1.89
Rot. Bonds4

About 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 97218600) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID97218600
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(C)c2ncn(C[C@H](O)c3ccccc3C)c(=O)c12
InChIInChI=1S/C16H18N4O2S/c1-10-6-4-5-7-11(10)12(21)8-20-9-17-14-13(16(20)22)15(23-3)18-19(14)2/h4-7,9,12,21H,8H2,1-3H3/t12-/m0/s1
InChIKeyMIVWGJAGMUUMLY-LBPRGKRZSA-N
XLogP1.89
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-methylsulfanyl-5-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99777708
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
CID 111149302
11-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 110885191
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51086565
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
6-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 71870144
(2-propan-2-ylphenyl) 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 86915548
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 42391931
1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51932166
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (CID 97218600) is 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is CSc1nn(C)c2ncn(C[C@H](O)c3ccccc3C)c(=O)c12.
What is the InChIKey of 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MIVWGJAGMUUMLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-6-4-5-7-11(10)12(21)8-20-9-17-14-13(16(20)22)15(23-3)18-19(14)2/h4-7,9,12,21H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 97218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).