1.0 2016-06-03 13:34:03 UTC 2026-05-14 19:00:15 UTC crizotinib SmallMolecule Crizotinib is an organic compound with the formula C21H22Cl2FN5O and an average molecular weight of 450.34 g/mol. It is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as an antineoplastic agent, and is administered via the oral exposure route. crizotinib belongs to the pyrazolylpyridines, a subclass of pyridines and derivatives within the organic compounds. The compound functions as an inhibitor for four recorded protein targets: the ALK tyrosine kinase receptor, the Hepatocyte growth factor receptor (MET), the Proto-oncogene tyrosine-protein kinase ROS (ROS1), and the Macrophage-stimulating protein receptor (MST1R). It is classified within the superclass of organoheterocyclic compounds. C21H22Cl2FN5O 450.34 449.1185439 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine crizotinib 877399-52-5 CC(OC1=C(N)N=CC(=C1)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27) KTEIFNKAUNYNJU-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyrazolylpyridines Pyrazolylpyridines Alkyl aryl ethers Aminopyridines and derivatives Aryl chlorides Aryl fluorides Azacyclic compounds Dialkylamines Dichlorobenzenes Fluorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organochlorides Organofluorides Organopnictogen compounds Piperidines Primary amines Pyrazoles 1,3-dichlorobenzene 3-pyrazolylpyridine Alkyl aryl ether Amine Aminopyridine Aromatic heteromonocyclic compound Aryl chloride Aryl fluoride Aryl halide Azacycle Azole Benzenoid Chlorobenzene Ether Fluorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Imidolactam Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Primary amine Pyrazole Secondary aliphatic amine Secondary amine Aromatic heteromonocyclic compounds aminopyridine aromatic ether dichlorobenzene organofluorine compound pyrazolylpiperidine Detected and Not Quantified Crizotinib Drug Metabolism Action Pathway SMP0144188 logp 3.57 logp 3.82 ALOGPS logs -4.87 ALOGPS solubility 6.11e-03 g/l ALOGPS logp 3.57 ChemAxon pka_strongest_basic 10.12 ChemAxon iupac 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine ChemAxon average_mass 450.34 ChemAxon mono_mass 449.1185439 ChemAxon smiles CC(OC1=C(N)N=CC(=C1)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl ChemAxon formula C21H22Cl2FN5O ChemAxon inchi InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27) ChemAxon inchikey KTEIFNKAUNYNJU-UHFFFAOYSA-N ChemAxon polar_surface_area 77.99 ChemAxon refractivity 128.43 ChemAxon polarizability 45.39 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafb32260> DB08865 11597571 9772331 BE0000359 BE0000915 BE0009534 BE0009490