JWY

N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea

Created:2018-10-05
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count57
Aromatic Bond Count18
2D diagram of JWY
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Chemical Component Summary

NameN-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea
Systematic Name (OpenEye OEToolkits)1-[4-chloranyl-5-[1-ethyl-7-(methylamino)-2-oxidanylidene-1,6-naphthyridin-3-yl]-2-fluoranyl-phenyl]-3-phenyl-urea
FormulaC24 H21 Cl F N5 O2
Molecular Weight465.907
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(NC(Nc1ccccc1)=O)c(cc(c2C=3C(=O)N(c4c(C=3)cnc(c4)NC)CC)Cl)F
SMILESCACTVS3.385CCN1C(=O)C(=Cc2cnc(NC)cc12)c3cc(NC(=O)Nc4ccccc4)c(F)cc3Cl
SMILESOpenEye OEToolkits2.0.6CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC
Canonical SMILESCACTVS3.385 CCN1C(=O)C(=Cc2cnc(NC)cc12)c3cc(NC(=O)Nc4ccccc4)c(F)cc3Cl
Canonical SMILESOpenEye OEToolkits2.0.6 CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC
InChIInChI1.03 InChI=1S/C24H21ClFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)
InChIKeyInChI1.03 VWSRPILDGFSBIY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24811925