1.0 2016-05-25 18:19:10 UTC 2026-08-22 11:55:59 UTC Indinavir SmallMolecule Indinavir is an organic compound with the chemical formula C36H47N5O4. Indinavir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 613.79 g/mol, Indinavir is a heavy molecule. This compound acts as an inhibitor of the Pol polyprotein and the Gag-Pol polyprotein (gag-pol). It is found in or released from two recorded sources: electrical and electronic equipment antennas, as well as healthcare, pharmaceuticals, and veterinary products specifically used as antivirals. The recorded route of exposure for Indinavir is oral. Human Neurotoxin C36H47N5O4 613.7895 613.362805017 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide indinavir 150378-17-9 CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12 InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 CBVCZFGXHXORBI-PXQQMZJSSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acid amides 1,2-aminoalcohols Aralkylamines Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives Indanes N-acyl amines N-alkylpiperazines Organic oxides Organopnictogen compounds Piperazine carboxamides Pyridines and derivatives Secondary alcohols Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohol 1,4-diazinane Alcohol Alpha-amino acid amide Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Indane Monocyclic benzene moiety N-acyl-amine N-alkylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Piperazine-2-carboxamide Pyridine Secondary alcohol Secondary carboxylic acid amide Tertiary aliphatic amine Tertiary amine Aromatic heteropolycyclic compounds N-(2-hydroxyethyl)piperazine dicarboxylic acid diamide piperazinecarboxamide Detected and Not Quantified Indinavir Action Pathway SMP0125928 Indinavir Drug Metabolism Action Pathway SMP0142686 logp 2.81 logp 3.26 ALOGPS logs -4.11 ALOGPS solubility 4.82e-02 g/l ALOGPS logp 2.81 ChemAxon pka_strongest_acidic 13.19 ChemAxon pka_strongest_basic 7.37 ChemAxon iupac (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide ChemAxon average_mass 613.7895 ChemAxon mono_mass 613.362805017 ChemAxon smiles CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12 ChemAxon formula C36H47N5O4 ChemAxon inchi InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 ChemAxon inchikey CBVCZFGXHXORBI-PXQQMZJSSA-N ChemAxon polar_surface_area 118.03 ChemAxon refractivity 175.89 ChemAxon polarizability 68.63 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221833fc0> DB00224 60944 4515036 BE0004854 BE0002050