Synthesis, and Computational Studies of Methyl 6’ -AMINO-5’-CYANO-2-OXO-2’H- SPIRO[INDOLINE-3’4’- PYRANO(2,3-C) PYRAZOLE]-3’-CARBOXYLATE

Abstract

Pyrazole derivatives are important heterocyclic compounds known for their wide range of biological activities, including antibacterial, antifungal, anti-inflammatory, analgesic, anticancer, and antidiabetic properties. In this study, a novel spiro pyranopyrazole derivative, methyl 6'-amino-5'-cyano-2-oxo-2'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate, was synthesized through a one-pot multicomponent reaction using dimethyl acetylene dicarboxylate (DMAD), hydrazine monohydrate, malononitrile, and isatin in PEG:EtOH medium with TBAI as a catalyst at room temperature. The synthesized compound was obtained in good yield and characterized by spectroscopic methods. Pharmacokinetic and ADMET studies indicated favourable drug-likeness, oral bioavailability, and acceptable absorption properties according to Lipinski's rule of five. Biological activity prediction also suggested promising pharmacological potential.