KZJ

6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Created:2019-01-28
Last modified:  2020-01-29

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count57
Aromatic Bond Count16
2D diagram of KZJ

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Chemical Component Summary

Name6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-[[1-(4-cyanophenyl)-2-oxidanylidene-pyridin-3-yl]amino]-~{N}-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
FormulaC23 H20 N8 O2
Molecular Weight440.457
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(C(=O)C(=CC=C1)Nc2cc(c4n(n2)c(C(=O)NC3CC3)cn4)NC)c5ccc(cc5)C#N
SMILESCACTVS3.385CNc1cc(NC2=CC=CN(C2=O)c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5
SMILESOpenEye OEToolkits2.0.7CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N
Canonical SMILESCACTVS3.385 CNc1cc(NC2=CC=CN(C2=O)c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5
Canonical SMILESOpenEye OEToolkits2.0.7 CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N
InChIInChI1.03 InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29)
InChIKeyInChI1.03 LMOIQLXOGZDGRD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118139924