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A1L59

Summary
Name:iptriazopyrid
Synonyms:~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Formula:C15 H15 F3 N6 O4 S
Formal charge:0
Formula weight:432.378 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H15F3N6O4S/c1-7(2)29(26,27)6-11-21-22-12-9(4-5-10(24(11)12)15(16,17)18)13(25)19-14-23-20-8(3)28-14/h4-5,7H,6H2,1-3H3,(H,19,23,25)
InChIKeyInChI1.06ODXFUPRPCAYZLK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
SMILESCACTVS3.385CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nnc(o1)NC(=O)c2ccc(n3c2nnc3CS(=O)(=O)C(C)C)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1nnc(o1)NC(=O)c2ccc(n3c2nnc3CS(=O)(=O)C(C)C)C(F)(F)F

250835

PDB entries from 2026-03-18

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