Synthesis, druglikeness estimation and prediction of possible pharmacological effects of new pyrrole hydrazones

Abstract

The synthesis of five new N-pyrrolyl derivatives is presented. A classical Paal-Knorr cyclization was used for synthesis of the initial N-pyrrolyl hydrazide and the final hydrazones were obtained in a micro synthe- sis apparatus, assuring about 65 - 95% yields, low harmful emissions and reagent economy. The compounds were elucidated by IR and 1H NMR spectral analyses and the obtained results were consistent with the as- signed structures. The purity of the substances was proven by TLC characteristics and corresponding melt- ing points. In addition, an attempt to predict the pharmacokinetic behavior and possible pharmacological effects of the target compounds was made, based on the molecular descriptors, obtained by the Molinspira- tion Cheminformatics web-based tool.