VZJ

6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide

Created:2020-09-24
Last modified:  2021-08-04

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count18
2D diagram of VZJ

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Chemical Component Summary

Name6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-(cyclopropylcarbonylamino)-4-[(2-methoxy-3-pyrimidin-2-yl-phenyl)amino]-~{N}-methyl-pyridazine-3-carboxamide
FormulaC21 H21 N7 O3
Molecular Weight419.437
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4
SMILESCACTVS3.385CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncccn4
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4
Canonical SMILESCACTVS3.385 CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncccn4
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4
InChIInChI1.03 InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
InChIKeyInChI1.03 XPHMHCUYKWFASJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156024956