C9J

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Summary

Name:2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
Formula:C17 H12 F N5 O2
Formal charge:0
Molecular weight:337.308 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
OpenEye OEToolkits2.0.62-[1-(3-fluoranyl-4-oxidanyl-phenyl)-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1c(C(N(C)C=C1)=O)nc(c2)c3cn(nn3)c4ccc(c(c4)F)O
InChIInChI1.03InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
InChIKeyInChI1.03VGLQAFZICPSJRO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4
SMILESCACTVS3.385CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O
SMILESOpenEye OEToolkits2.0.6CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O
170172
PDB entries from 2020-10-21