The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its spread across the world and to date has caused more than a million deaths. Although COVID-19 vaccine development appears to be progressing rapidly, scientists continue the search for different therapeutic options to treat this new illness. In this work, we synthesized five new 1-aryl-5-(3-azidopropyl)indol-4-ones and showed them to be potential inhibitors of the SARS CoV-2 main protease (3CLpro). The compounds were obtained in good overall yields and molecular docking indicated favorable binding with 3CLpro. In silico ADME/Tox profile of the new compounds were calculated using the SwissADME and pkCSM-pharmacokinetics web tools, and indicated adequate values of absorption, distribution and excretion, features related to bioavailability. Moreover, low values of toxicity were indicated for these compounds. And drug-likeness levels of the compounds were also predicted according to the Lipinski and Veber rules.

引起呼吸道感染 COVID-19 的病毒 SARS CoV-2 继续在世界范围内传播，迄今为止已导致超过一百万人死亡。尽管 COVID-19 疫苗的开发似乎进展迅速，但科学家们仍在继续寻找不同的治疗方案来治疗这种新疾病。在这项工作中，我们合成了五种新的 1-芳基-5-(3-叠氮基丙基)吲哚-4-酮，并证明它们是 SARS CoV-2 主要蛋白酶 (3CLpro) 的潜在抑制剂。这些化合物以良好的总收率获得，分子对接表明与 3CLpro 具有良好的结合。使用SwissADME和pkCSM 药代动力学网络工具计算新化合物的计算机ADME/Tox 概况，并显示吸收、分布和排泄的足够值以及与生物利用度相关的特征。此外，这些化合物的毒性值较低。还根据 Lipinski 和 Veber 规则预测了化合物的药物相似水平。