trelagliptin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 44
Total Number of Articles : 28
PubChem 15983988
Molecular Formula

C18H20FN5O2

SMILES

CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N

InChI

InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1

synonyms
  • TRELAGLIPTIN
  • SYR-472
  • Trelagliptin [USAN]
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Properties
Property Value
MW 357.4 g/mol
HBD 1
HBA 6
Rotatable Bond Count 3
Exact Mass 357.16010306 g/mol
Monoisotopic Mass 357.16010306 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 657
xlogp 0.7
Topological Polar Surface Area 93.7