IUV

(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

Created:2022-07-19
Last modified:  2022-12-07

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count46
Aromatic Bond Count11
2D diagram of IUV

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Chemical Component Summary

Name(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
FormulaC17 H17 F3 N2 O5
Molecular Weight386.322
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CCc2cn3c(n2)C(C(C(C3C(=O)O)O)O)O)C(F)(F)F
Canonical SMILESCACTVS3.385 O[C@H]1[C@H](O)[C@H](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[C@@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3C(=O)O)O)O)O)C(F)(F)F
InChIInChI1.06 InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1
InChIKeyInChI1.06 LZSIPXVQPVTVNE-RFQIPJPRSA-N

Related Resource References

Resource NameReference
PubChem 165618979