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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1 entries where KZJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	16

2D diagram of KZJ

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Chemical Component Summary
Name	6-{[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
Formula	C₂₃ H₂₀ N₈ O₂
Molecular Weight	440.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(C(=O)C(=CC=C1)Nc2cc(c4n(n2)c(C(=O)NC3CC3)cn4)NC)c5ccc(cc5)C#N
SMILES	CACTVS	3.385	CNc1cc(NC2=CC=CN(C2=O)c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5
SMILES	OpenEye OEToolkits	2.0.7	CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N
Canonical SMILES	CACTVS	3.385	CNc1cc(NC2=CC=CN(C2=O)c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	LMOIQLXOGZDGRD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118139924

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.