1.0 2016-05-22 06:36:35 UTC 2026-08-20 05:27:05 UTC Raltegravir SmallMolecule Raltegravir is an organic compound with the formula C20H21FN6O5 and an average molecular weight of 444.42 g/mol. Raltegravir belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is categorized as an organoheterocyclic compound. The compound is found in or released from three recorded sources: food, food processing & cookware (preparation of malt), electrical & electronic equipment (video games), and healthcare, pharmaceuticals & veterinary products (antivirals). The recorded route of exposure is oral. Raltegravir acts on two recorded protein targets, functioning as an inhibitor/modulator of the Gag-Pol polyprotein and targeting the Gag-Pol polyprotein (gag-pol). C20H21FN6O5 444.4163 444.155746017 N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide raltegravir 518048-05-0 CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1 InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30) CZFFBEXEKNGXKS-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidinecarboxylic acids and derivatives 1,3,4-oxadiazoles 2-heteroaryl carboxamides Aryl fluorides Azacyclic compounds Fluorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Hydroxypyrimidines Lactams Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Pyrimidones Secondary carboxylic acid amides Vinylogous acids 1,3,4-oxadiazole 2-heteroaryl carboxamide Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Azole Benzenoid Carboxamide group Carboxylic acid derivative Fluorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxypyrimidine Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxadiazole Pyrimidine-6-carboxylic acid or derivatives Pyrimidone Secondary carboxylic acid amide Vinylogous acid Aromatic heteromonocyclic compounds 1,2,4-oxadiazole dicarboxylic acid amide organofluorine compound pyrimidines Detected and Not Quantified Raltegravir Action Pathway SMP0125911 Raltegravir Drug Metabolism SMP0130846 Raltegravir Drug Metabolism Action Pathway SMP0144150 logp -0.39 logp -0.39 ChemAxon pka_strongest_acidic 5.62 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide ChemAxon average_mass 444.4163 ChemAxon mono_mass 444.155746017 ChemAxon smiles CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1 ChemAxon formula C20H21FN6O5 ChemAxon inchi InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30) ChemAxon inchikey CZFFBEXEKNGXKS-UHFFFAOYSA-N ChemAxon polar_surface_area 150.02 ChemAxon refractivity 112.59 ChemAxon polarizability 42.47 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726e496730> DB06817 54671008 16445111 BE0004855 BE0002050