Synthesis, Characterization and Computational Studies Of (Z)-3-((5-Chloropyridin-2-Yl) Imino)-1-(Oxiran-2-Ylmethyl) Indolin-2-One
DOI:
https://doi.org/10.63682/jns.v14i32S.7409Keywords:
Indolin-2-one derivative, Heterocyclic compounds, Drug-likeness, ADMET profilingAbstract
Heterocyclic scaffolds, particularly those derived from isatin, have arisen as promising choices for the generation of new druglike candidates because of their structural flexibility and potent biological activity. This study describes the synthesis and characterization of a new N-substituted indolin-2-one derivative. The synthesized compound was structurally confirmed using FT-IR, ¹H-NMR, and ESI-MS. The compound was synthesized via a one-pot reaction, and it is obtained in 80% yield. Furthermore, a thorough in-silico analysis was also performed by using ADMETlab 3.0, admetSAR3, and SwissADME. Its physicochemical, pharmacokinetic, and toxicity profiles were compared to the reference. The synthesized indolin-2-one derivative showed positive absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties, improved drug likeness, and promising safety as well as efficacy markers, including low expected toxicity and high oral bioavailability. These results show that the synthesized indolin-2-one derivative shows a promising potential as a druglike candidate.
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