Raltegravir
N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
Molecular Identity
Raltegravir
N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID: 54671008
Raltegravir is a pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection. It has a role as an antiviral drug and a HIV-1 integrase inhibitor. It is a secondary carboxamide, a dicarboxylic acid amide, a pyrimidone, a hydroxypyrimidine, a 1,2,4-oxadiazole and a member of monofluorobenzenes.
2D Structure
Properties
C20H21FN6O5
Molecular Formula
444.40
Molecular Weight
g/mol
444.1557
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
150
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
836
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Raltegravir518048-05-0MK-0518MK0518raltegravirumMK 0518DTXSID2048660CHEBI:8296022VKV8053UN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide4-Pyrimidinecarboxamide, N-((4-fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-DTXCID5028586L000900612L-000900612N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
Data from PubChem (NCBI)
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