3WR

1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea


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Chemical Component Summary

Name1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Identifiers1-[4-(4-azanyl-5-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]urea
FormulaC21 H14 F4 N6 O2
Molecular Weight458.368
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N
InChIInChI=1S/C21H14F4N6O2/c22-14-6-1-11(21(23,24)25)9-15(14)30-20(33)29-12-2-4-13(5-3-12)31-8-7-16(32)17-18(26)27-10-28-19(17)31/h1-10H,(H2,26,27,28)(H2,29,30,33)
InChIKeyOWKPAZCWJGPSQU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 11213277