7GL

6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Created:2016-10-20
Last modified:  2016-12-28

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count16
2D diagram of 7GL

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Chemical Component Summary

Name6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
FormulaC16 H18 N6 O
Molecular Weight310.354
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(cc(C)cc1C)Nc2nn3c(c(c2)NC)ncc3C(=O)N
SMILESCACTVS3.385CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
SMILESOpenEye OEToolkits2.0.6Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C
Canonical SMILESCACTVS3.385 CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C
InChIInChI1.03 InChI=1S/C16H18N6O/c1-9-4-10(2)6-11(5-9)20-14-7-12(18-3)16-19-8-13(15(17)23)22(16)21-14/h4-8,18H,1-3H3,(H2,17,23)(H,20,21)
InChIKeyInChI1.03 SNVFFECYFQEWTL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4279157
PubChem 129626433
ChEMBL CHEMBL4279157