5-Nitroindazole-based compounds: further studies for activity optimization as anti-Trypanosoma cruzi agents

•In silico approaches point to both good oral bioavailability and non-risks for 5-nitroindazoles.•Neither nitro nor halogen groups induce toxicity in 5-nitroindazole derivatives.•5-Nitroindazolinones show the highest selectivity on Trypanosoma cruzi.•Introduction of fluorine atoms has positive impacts on the trypanocidal profile.