CAS 1305325-08-9: 1-(1,1-Dimethylethyl) 5-methyl 1H-pyrazolo[3,4-b]pyridine-1,5-dicarboxylate

Description: 1-(1,1-Dimethylethyl) 5-methyl 1H-pyrazolo[3,4-b]pyridine-1,5-dicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrazolo[3,4-b]pyridine core. This compound features two carboxylate functional groups, contributing to its potential reactivity and solubility properties. The presence of a tert-butyl group (1,1-dimethylethyl) and a methyl group enhances its steric bulk, which can influence its interactions with biological targets or other chemical species. The compound is likely to exhibit moderate to high lipophilicity due to the hydrophobic tert-butyl group, which may affect its bioavailability and pharmacokinetics if considered for pharmaceutical applications. Additionally, the presence of multiple functional groups suggests potential for various chemical reactions, including esterification and substitution. Overall, this compound's unique structural features may make it of interest in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical measurement or literature reference for precise characterization.

Formula: C₁₃H₁₅N₃O₄

InChI: InChI=1S/C13H15N3O4/c1-13(2,3)20-12(18)16-10-8(7-15-16)5-9(6-14-10)11(17)19-4/h5-7H,1-4H3

InChI key: InChIKey=MTBRBUYOTCUDQQ-UHFFFAOYSA-N

SMILES: O=C(OC)C=1C=NC2=C(C=NN2C(=O)OC(C)(C)C)C1

Synonyms:

• 1-(1,1-Dimethylethyl) 5-methyl 1H-pyrazolo[3,4-b]pyridine-1,5-dicarboxylate
• 1H-Pyrazolo[3,4-b]pyridine-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl) 5-methyl ester

1-(Tert-butyl) 5-methyl 1H-pyrazolo[3,4-b]pyridine-1,5-dicarboxylate

CAS: 1305325-08-9

• Purity: 98%
• Molecular weight: 277.2799987792969

1-tert-Butyl 5-methyl 1H-pyrazolo(3,4-B)pyridine-1,5-dicarboxylate

CAS: 1305325-08-9

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• Formula: C₁₃H₁₅N₃O₄
• Purity: Min. 95%
• Molecular weight: 277.28 g/mol