1HQ

N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide


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Chemical Component Summary

NameN-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
IdentifiersN-[3-[(4S)-2-azanyl-4-[bis(fluoranyl)methyl]-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
FormulaC18 H14 F3 N5 O2
Molecular Weight389.331
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F
InChIInChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1
InChIKeyZQBDXEARYNLKKR-SFHVURJKSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL2347206
PubChem 71112763
ChEMBL CHEMBL2347206