17G

9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one

Created:2013-03-25
Last modified:  2013-05-08

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count51
Aromatic Bond Count23
2D diagram of 17G

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Chemical Component Summary

Name9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)9-(6-azanylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
FormulaC24 H15 F3 N4 O
Molecular Weight432.397
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)N5C(=O)C=Cc4cnc3ccc(c2ccc(nc2)N)cc3c45
SMILESCACTVS3.370Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F
Canonical SMILESCACTVS3.370 Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F
InChIInChI1.03 InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChIKeyInChI1.03 GUXXEUUYCAYESJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1765602
PubChem 51358113
ChEMBL CHEMBL1765602
ChEBI CHEBI:90682