0VE

3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol

Created:2012-07-10
Last modified:  2013-01-25

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count22
2D diagram of 0VE

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Chemical Component Summary

Name3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
Systematic Name (OpenEye OEToolkits)3-[8-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]amino]imidazo[1,2-a]pyrazin-5-yl]phenol
FormulaC22 H23 N5 O2
Molecular Weight389.45
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c3nccn3c(c1)c2cccc(O)c2)Nc4ccc(N(CC)CCO)cc4
SMILESCACTVS3.370CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1
SMILESOpenEye OEToolkits1.7.6CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O
Canonical SMILESCACTVS3.370 CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1
Canonical SMILESOpenEye OEToolkits1.7.6 CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O
InChIInChI1.03 InChI=1S/C22H23N5O2/c1-2-26(12-13-28)18-8-6-17(7-9-18)25-21-22-23-10-11-27(22)20(15-24-21)16-4-3-5-19(29)14-16/h3-11,14-15,28-29H,2,12-13H2,1H3,(H,24,25)
InChIKeyInChI1.03 HNXXZSFGRGLZTI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 69492761