Investigation of The Design, Synthesis, Reaction Mechanism and Theoretical Pharmacokinetic Properties of Novel Pyrrolotriazinone Derivatives

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Van Yüzüncü Yıl University 1st International Health Sciences Congress, Van, Turkey, 27 October 2022, pp.42

  • Publication Type: Conference Paper / Summary Text
  • City: Van
  • Country: Turkey
  • Page Numbers: pp.42
  • Van Yüzüncü Yıl University Affiliated: Yes



Objective: In this study, a new synthesis method was designed for the pyrrolotriazinone skeleton, which has many biological activities. The synthesis of new pyrrolotriazinone derivatives with the developed synthetic method has the advantage of high reaction efficiency, fast reaction time and easy purification.

Material-Method: It was achieved by the condensation reaction of ethyl 2-formyl-1H-pyrrole-1-carboxylate with thiosemicarbazide in the first step and by the addition of phenacyl bromide derivatives in the second step. The final products were isolated by precipitation after cooling the reaction mixture to room temperature and washed in ethanol. In addition, drug likeness and theoretical pharmacokinetic profiles of the pyrrolotriazinone derivatives synthesized by the developed method were investigated by SwissADME and pkCSM web servers.

Results: As a result, a one-pot two-step reaction method has been developed for the synthesis of pyrrolopyrazinone, which is an important molecular skeleton in terms of both organic chemistry and medicinal chemistry. The drug likeness and theoretical pharmacokinetic parameters of the newly synthesized pyrolopyrazinone derivatives showed that they could be very suitable drug candidates.

Conclusion: This method is an important route in terms of derivatization of various pyrrolopyrazinone compounds and access to various bioactive molecules. Based on the drug likeness and appropriate pharmacokinetic properties of the compounds we synthesized in this study, the development of new compounds with various pharmacological activities in the future is among our ongoing studies.

Keywords: pyrrolotriazinone, one-pot synthesis, drug likeness parameters, ADMET