CAS 1305325-03-4

1,1-Dimethylethyl 3-bromo-5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

Description:

1,1-Dimethylethyl 3-bromo-5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate is a complex organic compound characterized by its unique structural features, including a pyrazolo[3,4-b]pyridine core, which is a bicyclic heterocyclic structure. The presence of both bromine and iodine substituents at the 3 and 5 positions, respectively, contributes to its reactivity and potential applications in medicinal chemistry. The ester functional group, indicated by the carboxylate moiety, suggests that this compound may exhibit interesting properties related to its solubility and reactivity with nucleophiles. The tert-butyl group (1,1-dimethylethyl) enhances the compound's lipophilicity, which can influence its biological activity and pharmacokinetics. Overall, this compound may be of interest for research in drug development, particularly in the context of targeting specific biological pathways or as a potential lead compound in the synthesis of novel therapeutic agents. Its specific properties, such as melting point, boiling point, and spectral characteristics, would require further investigation through experimental methods.

Formula: C₁₁H₁₁BrIN₃O₂

InChI: InChI=1S/C11H11BrIN3O2/c1-11(2,3)18-10(17)16-9-7(8(12)15-16)4-6(13)5-14-9/h4-5H,1-3H3

InChI key: InChIKey=ZJYGWJIOZGJLEC-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C(Br)=N1)=CC(I)=CN2

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 3-bromo-5-iodo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-bromo-5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate