CAS 1305325-07-8

1,1-Dimethylethyl 5-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

Description:

1,1-Dimethylethyl 5-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazolo[3,4-b]pyridine core, a carboxylate functional group, and a tert-butyl substituent. This compound features a hydroxy group and a propynyl side chain, contributing to its potential reactivity and biological activity. The presence of the pyrazole ring suggests possible applications in medicinal chemistry, particularly in the development of pharmaceuticals, as pyrazoles are known for their diverse biological properties. The tert-butyl group enhances lipophilicity, which may influence the compound's solubility and permeability in biological systems. Additionally, the specific arrangement of functional groups may impart unique chemical properties, making it a candidate for further research in drug development or as a biochemical probe. Overall, this compound exemplifies the intricate relationship between molecular structure and potential functionality in chemical and biological contexts.

Formula: C₁₄H₁₅N₃O₃

InChI: InChI=1S/C14H15N3O3/c1-14(2,3)20-13(19)17-12-11(9-16-17)7-10(8-15-12)5-4-6-18/h7-9,18H,6H2,1-3H3

InChI key: InChIKey=NJDPLRXBHJEXBE-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(=CC(C#CCO)=CN2)C=N1

Synonyms:

• 1,1-Dimethylethyl 5-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate
• 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-(3-hydroxy-1-propyn-1-yl)-, 1,1-dimethylethyl ester