546

2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine

Created:2011-07-11
Last modified:  2011-07-11

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count21
2D diagram of 546

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Chemical Component Summary

Name2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
Systematic Name (OpenEye OEToolkits)n/a
FormulaC18 H17 N5 O
Molecular Weight319.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C
SMILESCACTVS3.370COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
SMILESOpenEye OEToolkits1.7.2Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C
Canonical SMILESCACTVS3.370 COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C
InChIInChI1.03 InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
InChIKeyInChI1.03 VAYNYSLGOOSRMO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1916091
PubChem 42629702
ChEMBL CHEMBL1916091