CAS 1018052-55-5

1-(2,2-Difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridine-7-acetic acid

Description:

1-(2,2-Difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridine-7-acetic acid is a complex organic compound characterized by its unique pyrazolo-pyridine structure, which incorporates multiple fluorinated groups. The presence of the difluoroethyl and trifluoromethyl substituents contributes to its lipophilicity and potential biological activity. This compound features a carboxylic acid functional group, which may enhance its solubility in polar solvents and influence its reactivity. The dihydro and keto functionalities suggest potential for tautomeric forms, impacting its chemical behavior. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's fluorinated groups may also enhance metabolic stability and bioavailability. As with many fluorinated compounds, it may exhibit unique properties such as altered pharmacokinetics and increased potency. Safety and handling considerations are essential due to the presence of fluorine, which can affect environmental persistence and toxicity profiles.

Formula: C₁₂H₁₀F₅N₃O₃

InChI: InChI=1S/C12H10F5N3O3/c1-5-10-6(12(15,16)17)2-8(21)19(4-9(22)23)11(10)20(18-5)3-7(13)14/h2,7H,3-4H2,1H3,(H,22,23)

InChI key: InChIKey=LRDAJBPEZGLXNW-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C2=C(C(C(F)(F)F)=CC1=O)C(C)=NN2CC(F)F

Synonyms:

• 7H-Pyrazolo[3,4-b]pyridine-7-acetic acid, 1-(2,2-difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-
• 1-(2,2-Difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridine-7-acetic acid
• -(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid
• 2-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7h-pyrazolo[3,4-b]pyridin-7-yl)acetic acid
• [1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid