CAS 1354705-89-7

Ethyl 4,6-bis(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

Description:

Ethyl 4,6-bis(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate is a synthetic organic compound characterized by its complex pyrazolo-pyridine structure, which incorporates both difluoromethyl and ethyl functional groups. This compound typically exhibits a high degree of lipophilicity due to the presence of multiple fluorine atoms, which can influence its solubility and reactivity. The difluoromethyl groups contribute to its potential biological activity, as fluorinated compounds often exhibit unique pharmacological properties. The carboxylate functional group may enhance its reactivity in various chemical reactions, making it a candidate for further derivatization. Additionally, the presence of the methyl group on the pyrazole ring can affect its steric and electronic properties, influencing interactions with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of new pharmaceuticals, owing to its structural features that could modulate biological activity. However, specific properties such as melting point, boiling point, and spectral data would require empirical determination or literature reference for precise characterization.

Formula: C₁₂H₁₁F₄N₃O₂

InChI: InChI=1S/C12H11F4N3O2/c1-3-21-12(20)8-7-5(9(13)14)4-6(10(15)16)17-11(7)19(2)18-8/h4,9-10H,3H2,1-2H3

InChI key: InChIKey=JYBJDQQTPPLIMH-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=2C(=NC(C(F)F)=CC2C(F)F)N(C)N1

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 4,6-bis(difluoromethyl)-1-methyl-, ethyl ester
• Ethyl 4,6-bis(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate