Synthesis, Molecular Docking, and Antimicrobial Agents of New Pyrazole, Triazole, and Imidazopyridine Derivatives Linked to Indene‐1,3‐Dione Moiety

Abstract

Heterocyclic compounds, such as pyrazole, triazole, and imidazopyridine and their derivatives, are highly significant in biological applications due to their antimicrobial, antiviral, anticancer, antioxidant, antibiotic, antitubercular, analgesic, and anti‐inflammatory activities. We prepared a series of novel products, including 2‐(sub‐benzylidene)‐indene‐1,3‐diones (2–5) , 2‐(substituted‐ylmethylene)‐1( H )‐indene‐1,3‐diones (6–8) , and more complex derivatives such as 2‐((2‐( p ‐chloro‐phenyl)imidazo [1,2‐ a ]pyridine)methylene)‐indene‐1,3‐dione (9) , as well as various pyrazolyl and benzofuranyl and 1,2,3‐triazolyl derivatives (10–12) . These compounds were characterized using spectroscopic methods, including IR, NMR, and MS. Their antimicrobial activities were evaluated in vitro, with comparisons made against standard drugs cefotaxime sodium and nystatin. This research highlights the medicinal potential of these heterocyclic structures and the diversity of imidazo[1,2‐ a ] pyridine, triazole, and pyrazole derivatives linked to indane‐1,3‐dione. The findings may contribute to future drug discovery and therapeutic development. The compounds' antimicrobial activity was tested in vitro. The results indicated that products ( 9–12) had the highest antimicrobial activity. Molecular docking analyses and studies exploring the relationship between these compounds' structures and their activity further supported this finding. Consequently, compounds (9–12) are regarded as promising multi‐target agents that could potentially be developed into standard drugs in the future.