03X

N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Created:2011-10-13
Last modified:  2011-10-13

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count68
Aromatic Bond Count23
2D diagram of 03X

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Chemical Component Summary

NameN-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazole-4-carboxamide
FormulaC29 H25 F N4 O5
Molecular Weight528.531
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc3c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(c3)NC(=O)C=5C(=O)N(c4ccccc4)N(C=5C)C
SMILESCACTVS3.370COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C)N(C)N(C4=O)c5ccccc5)cc3F)c2cc1OC
SMILESOpenEye OEToolkits1.7.2CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
Canonical SMILESCACTVS3.370 COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C)N(C)N(C4=O)c5ccccc5)cc3F)c2cc1OC
Canonical SMILESOpenEye OEToolkits1.7.2 CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
InChIInChI1.03 InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)
InChIKeyInChI1.03 SBLMCLDRWJNEJK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2031893
PubChem 56604907
ChEMBL CHEMBL2031893