SLJ

5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid

Created:2020-03-11
Last modified:  2021-05-12

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count16
2D diagram of SLJ

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Chemical Component Summary

Name5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid
FormulaC18 H20 N4 O3
Molecular Weight340.376
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2
SMILESOpenEye OEToolkits2.0.7CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O
Canonical SMILESCACTVS3.385 CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2
Canonical SMILESOpenEye OEToolkits2.0.7 CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O
InChIInChI1.03 InChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyInChI1.03 RVGJIJTWOILHDF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155907492