Crizotinib

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Properties Simple | Detailed

Formula C21H23Cl2FN5O
IUPAC Name 3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-(4-piperidyl)pyrazol-1-ium-2-id-4-yl]pyridin-1-ium-5-id-2-amine
Molecular Mass 451.345 g·mol−1
Heat of Formation -49.8 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 491.55 Å 3
Surface Area 423.24 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
  • 3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-(4-piperidyl)pyrazol-4-yl]pyridin-2-amine
  • 3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
  • 3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-4-pyrazolyl]-2-pyridinamine
  • [3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-(4-piperidyl)pyrazol-4-yl]-2-pyridyl]amine
InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
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Elements C F H Cl O N