Osimertinib 3D structure

Osimertinib (also called Mereletinib, osimertinibum) has the formula C28H33N7O2 and a molar mass of 499.6 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
C28H33N7O2
Molar mass
499.6 g/mol
PubChem CID
71496458
Heavy atoms
37
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC nameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESCN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
PubChem CID71496458
Other namesMereletinib, osimertinibum

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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