1UK

N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide

Created:2013-06-07
Last modified:  2013-07-17

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of 1UK

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Chemical Component Summary

NameN-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
Systematic Name (OpenEye OEToolkits)N-[6-[6-azanyl-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide
FormulaC15 H12 F3 N5 O
Molecular Weight335.284
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N
SMILESCACTVS3.370CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F
Canonical SMILESCACTVS3.370 CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.6 CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F
InChIInChI1.03 InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)
InChIKeyInChI1.03 TVUPSIBSWDXJGQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2418954
PubChem 59251679
ChEMBL CHEMBL2418954