Synthesis and In-silico study of 5-oxo-1, 2-diphenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-3-carboxylate

Abstract

In the current study, the pyrrole-3-carboxylate (4) derivative was synthesized and evaluated in-silico for potential biological activity. The synthesis was done in several steps. It started with a 1,3-dicarbonyl compound, aniline and aldehyde reacting in mild conditions. The key cyclization step formed the pyrrole core through a condensation reaction, followed by esterification to produce the desired compound (4). The compound was characterized using various spectroscopic techniques, including FTIR, ESMS, ¹H NMR, and ¹³C NMR. The results suggested that the synthesized compound (4) has potential drug-like properties, based on molecular descriptors and in-silico studies using ADMET profiling.