4UB

3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE

Created:2010-05-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count34
Aromatic Bond Count23
2D diagram of 4UB

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Chemical Component Summary

Name3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Systematic Name (OpenEye OEToolkits)3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
FormulaC15 H11 N5
Molecular Weight261.281
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n3cc2ncc(c1ccccc1)n2cc3c4cnnc4
SMILESCACTVS3.352[nH]1cc(cn1)c2cn3c(cn2)ncc3c4ccccc4
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4
Canonical SMILESCACTVS3.352 [nH]1cc(cn1)c2cn3c(cn2)ncc3c4ccccc4
Canonical SMILESOpenEye OEToolkits1.6.1 c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4
InChIInChI1.03 InChI=1S/C15H11N5/c1-2-4-11(5-3-1)14-8-17-15-9-16-13(10-20(14)15)12-6-18-19-7-12/h1-10H,(H,18,19)
InChIKeyInChI1.03 YCLNNSSAFUQKBC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 49797838
ChEMBL CHEMBL1172464