F4C

2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide

Created:2009-10-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count53
Aromatic Bond Count18
2D diagram of F4C

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Chemical Component Summary

Name2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
Systematic Name (OpenEye OEToolkits)2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
FormulaC24 H16 F4 N4 O2
Molecular Weight468.403
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02FC(F)(F)c1ccccc1CNC(=O)C=2C(=O)N(N=C(C=2)c3ccncc3)c4ccc(F)cc4
SMILESCACTVS3.352Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccccc3C(F)(F)F)C2=O)c4ccncc4
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F
Canonical SMILESCACTVS3.352 Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccccc3C(F)(F)F)C2=O)c4ccncc4
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F
InChIInChI1.03 InChI=1S/C24H16F4N4O2/c25-17-5-7-18(8-6-17)32-23(34)19(13-21(31-32)15-9-11-29-12-10-15)22(33)30-14-16-3-1-2-4-20(16)24(26,27)28/h1-13H,14H2,(H,30,33)
InChIKeyInChI1.03 SZWDNHQJXXWUBD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 44251520
ChEMBL CHEMBL1232634