Synthesis, Characterization and Molecular Docking Studies of 5-Chloro-1-(1H-indole-2-yl)-3-methyl-4,5-dihydro-1H-pyrazole-4-carboxylic Acids

G. Ganga Reddy1, S. Ramakrishna Reddy1, Ch. Venkata Ramana Reddy1,, E. Laxminarayana2, and B. Srinivasa Reddy3,*,

1Department of Chemistry, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500085, India

2Sreenidhi Institute of Science and Technology (Autonomous) Yamnampet, Ghatkesar, Hyderabad-501301, India

3Department of Chemistry, Mahatma Gandhi Institute of Technology, Kokapet, Gandipet, Hyderabad-500075, India

*Corresponding author: E-mail: srinivasjntu123@gmail.com

Abstract

A series of new 5-chloro-1-(1H-indole-2-yl)-3-methyl-4,5-dihydro-1H-pyrazole-4-carbxylic acids (5a-c) was synthesized. For the synthesis of these compounds, the 1H-indole-2-carboxylic acids (1a-c) were used as core compound. The synthetic route leading to the title compounds is summarized in Scheme-I. The chemical structures of all intermediates and products were confirmed by their IR, 1H and 13C NMR, mass spectral data and elemental analysis. The molecular docking studies of title compounds was carried out to predict the binding interactions with target protein EGFR.

Keywords

Vilsmeier-Hack formylation, Indoles, Pyrazoles, Docking studies.

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