6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine

C12H10N4O2S — CID 131865944

IUPAC6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-9-8-14-16(11(9)15-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZYPJBYYAOVWSKJ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.22
Rot. Bonds2

About 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine

6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine (PubChem CID 131865944) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
PubChem CID131865944
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-9-8-14-16(11(9)15-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZYPJBYYAOVWSKJ-UHFFFAOYSA-N
XLogP1.22
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-methylsulfonyl-8-phenyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171546978
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine
CID 13271938
N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide
CID 91649217
N-[(4-aminocyclohexyl)methyl]-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 172599798
dimethyl 1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate
CID 10041105
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72721932
4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 15531093
10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
CID 10064325
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
CID 146709658
2-methylsulfonylpyrido[4,3-d]pyrimidine
CID 83884276
5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
CID 121280166

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine (CID 131865944) is 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine is CS(=O)(=O)c1ncc2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The InChIKey is ZYPJBYYAOVWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-9-8-14-16(11(9)15-12)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine?
6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine has a molecular weight of 274.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 131865944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).