CAS 1000932-04-6

1H-Pyrazolo[3,4-b]pyridin-6-ol, 1,3-dimethyl-4-propyl-, 6-(4-methylbenzenesulfonate)

Description:

1H-Pyrazolo[3,4-b]pyridin-6-ol, 1,3-dimethyl-4-propyl-, 6-(4-methylbenzenesulfonate) is a chemical compound characterized by its pyrazolo-pyridine core structure, which features a fused pyrazole and pyridine ring system. This compound contains a hydroxyl group (-OH) at the 6-position of the pyrazolo ring, contributing to its potential as a bioactive molecule. The presence of the 1,3-dimethyl and 4-propyl substituents enhances its lipophilicity and may influence its pharmacological properties. The sulfonate group, specifically the 4-methylbenzenesulfonate moiety, is likely to enhance solubility in aqueous environments and may play a role in the compound's reactivity and interaction with biological targets. Overall, this compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and drug development. Its specific properties, such as melting point, solubility, and reactivity, would require further investigation through experimental studies.

Formula: C₁₈H₂₁N₃O₃S

InChI: InChI=1S/C18H21N3O3S/c1-5-6-14-11-16(19-18-17(14)13(3)20-21(18)4)24-25(22,23)15-9-7-12(2)8-10-15/h7-11H,5-6H2,1-4H3

InChI key: InChIKey=WQBOAWJRVOEUGW-UHFFFAOYSA-N

SMILES: CN1C=2C(=C(CCC)C=C(OS(=O)(=O)C3=CC=C(C)C=C3)N2)C(C)=N1

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridin-6-ol, 1,3-dimethyl-4-propyl-, 6-(4-methylbenzenesulfonate)

1,3-Dimethyl-4-propyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS: 1000932-04-6

Versatile small molecule scaffold

Formula: C₁₈H₂₁N₃O₃S

Purity: Min. 95%

Molecular weight: 359.4 g/mol

Ref: 3D-AQB93204