Sitagliptin 3D structure

Sitagliptin (also called Januvia, Zituvio) has the formula C₁₆H₁₅F₆N₅O and a molar mass of 407.31 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula: C₁₆H₁₅F₆N₅O
Molar mass: 407.31 g/mol
PubChem CID: 4369359
Heavy atoms: 28
Category: Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
SMILES	`C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N`
PubChem CID	4369359
Other names	Januvia, Zituvio, sitagliptina, sitagliptine, sitagliptinum

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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