0VG

N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine

Created:2012-07-12
Last modified:  2013-01-25

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count1
Bond Count54
Aromatic Bond Count22
2D diagram of 0VG

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Chemical Component Summary

NameN-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
Systematic Name (OpenEye OEToolkits)N-[6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl]-6-phenyl-imidazo[1,2-b]pyridazin-8-amine
FormulaC22 H22 N6
Molecular Weight370.45
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1ccn2nc(cc(c12)Nc4nc(N3C(C)CCC3)ccc4)c5ccccc5
SMILESCACTVS3.370C[CH]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
SMILESOpenEye OEToolkits1.7.6CC1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5
Canonical SMILESCACTVS3.370 C[C@H]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5
InChIInChI1.03 InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyInChI1.03 OLNOLIZABHZSEW-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 71525988
ChEMBL CHEMBL3920431