alogliptin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 122
Total Number of Articles : 207
PubChem 11450633
Molecular Formula

C18H21N5O2

SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N

InChI

InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1

synonyms
  • Alogliptin
  • 850649-61-5
  • alogliptina
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Properties
Property Value
MW 339.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 3
Exact Mass 339.16952493 g/mol
Monoisotopic Mass 339.16952493 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 622
xlogp 0.6
Topological Polar Surface Area 93.7