5SZ

6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

Created:2015-11-25
Last modified:  2016-02-10

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count48
Aromatic Bond Count21
2D diagram of 5SZ

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Chemical Component Summary

Name6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
Systematic Name (OpenEye OEToolkits)6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
FormulaC20 H15 F N6 O2
Molecular Weight390.371
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](N1C=Cc2ncccc2C1=O)c3nnc4n3cc(cc4F)c5onc(C)c5
SMILESOpenEye OEToolkits2.0.4Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)N4C=Cc5c(cccn5)C4=O)F
Canonical SMILESCACTVS3.385 C[C@@H](N1C=Cc2ncccc2C1=O)c3nnc4n3cc(cc4F)c5onc(C)c5
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F
InChIInChI1.03 InChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyInChI1.03 MUXVJMKIENAXGE-GFCCVEGCSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3786495
PubChem 44180127
ChEMBL CHEMBL3786495