RJZ

4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

Created: 2020-09-30
Last modified:  2021-05-26

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count22
2D diagram of RJZ

Chemical Component Summary

Name4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Systematic Name (OpenEye OEToolkits)4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
FormulaC19 H18 Br N7 O
Molecular Weight440.297
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4
SMILESOpenEye OEToolkits2.0.7Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N
Canonical SMILESCACTVS3.385 Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N
InChIInChI1.03 InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26)
InChIKeyInChI1.03 IOUKAQLHORTKRT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135335953