1.0 2016-06-03 13:33:58 UTC 2026-05-14 19:00:21 UTC ruxolitinib SmallMolecule Ruxolitinib is an organic compound with the formula C17H18N6 and an average molecular weight of 306.37 g/mol. It is classified as an organoheterocyclic compound. Specifically, ruxolitinib belongs to the pyrrolo[2,3-d]pyrimidines, a subclass of pyrrolopyrimidines within the organic compounds. The compound is found in or released from two recorded sources: healthcare, pharmaceuticals, and veterinary products, specifically as antineoplastic agents and dermatological preparations. Recorded routes of exposure include oral and topical administration. Ruxolitinib acts on five recorded protein targets, serving as an inhibitor of Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Non-receptor tyrosine-protein kinase TYK2, in addition to one other protein. C17H18N6 306.373 306.159294604 3-cyclopentyl-3-(4-{1H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile 3-cyclopentyl-3-(4-{1H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrazol-1-yl)propanenitrile 941678-49-5 N#CCC(C1CCCC1)N1C=C(C=N1)C1=C2C=CN=C2NC=N1 InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21) HFNKQEVNSGCOJV-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Pyrrolopyrimidines Pyrrolo[2,3-d]pyrimidines Pyrrolo[2,3-d]pyrimidines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Nitriles Organopnictogen compounds Pyrazoles Pyrimidines and pyrimidine derivatives Pyrroles Aromatic heteropolycyclic compound Azacycle Azole Carbonitrile Heteroaromatic compound Hydrocarbon derivative Nitrile Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazole Pyrimidine Pyrrole Pyrrolo[2,3-d]pyrimidine Aromatic heteropolycyclic compounds Detected and Not Quantified Ruxolitinib Mechanism of Action Action Pathway SMP0126971 Ruxolitinib Drug Metabolism Action Pathway SMP0144196 logp 2.48 logp 2.10 ALOGPS logs -3.07 ALOGPS solubility 2.58e-01 g/l ALOGPS logp 1.99 ChemAxon pka_strongest_acidic 7.69 ChemAxon pka_strongest_basic 2.54 ChemAxon iupac 3-cyclopentyl-3-(4-{1H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile ChemAxon average_mass 306.373 ChemAxon mono_mass 306.159294604 ChemAxon smiles N#CCC(C1CCCC1)N1C=C(C=N1)C1=C2C=CN=C2NC=N1 ChemAxon formula C17H18N6 ChemAxon inchi InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21) ChemAxon inchikey HFNKQEVNSGCOJV-UHFFFAOYSA-N ChemAxon polar_surface_area 83.18 ChemAxon refractivity 97.38 ChemAxon polarizability 33.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225fa1b00> DB08877 17754772 24808460 BE0004145 BE0002408 BE0003493 BE0004146 BE0000717