LB7

6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide

Created:2019-02-15
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count56
Aromatic Bond Count17
2D diagram of LB7

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Chemical Component Summary

Name6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-(cyclopropylcarbonylamino)-4-[[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino]-~{N}-methyl-pyridazine-3-carboxamide
FormulaC20 H22 N8 O3
Molecular Weight422.44
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(Nc1nnc(c(c1)Nc3c(c(c2nn(C)cn2)ccc3)OC)C(NC)=O)(C4CC4)=O
SMILESCACTVS3.385CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ncn(C)n4)c3OC
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C
Canonical SMILESCACTVS3.385 CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ncn(C)n4)c3OC
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C
InChIInChI1.03 InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
InChIKeyInChI1.03 BZZKEPGENYLQSC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138713709