Filibuvir
(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
Molecular Identity
Filibuvir
(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
PubChem CID: 54708673
Filibuvir is a member of triazolopyrimidines.
2D Structure
Properties
C29H37N5O3
Molecular Formula
503.60
Molecular Weight
g/mol
503.2896
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
103
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
833
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=CC(=CC(=N1)CC)CCC2(CC(=C(C(=O)O2)CC3=NN4C(=CC(=NC4=N3)C)C)O)C5CCCC5Isomeric SMILES
SMILES: CCC1=CC(=CC(=N1)CC)CC[C@@]2(CC(=C(C(=O)O2)CC3=NN4C(=CC(=NC4=N3)C)C)O)C5CCCC5Synonyms(20)
Filibuvir877130-28-4PF-00868554198J479Y2LPf-868554PF008685542H-Pyran-2-one, 6-cyclopentyl-6-(2-(2,6-diethyl-4-pyridinyl)ethyl)-3-((5,7-dimethyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)-5,6-dihydro-4-hydroxy-, (6R)-DTXSID601007768(6R)-6-Cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydro-2H-pyran-2-one6-Cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one(2R)-2-cyclopentyl-2-[2-(2,6-diethylpyridin-4-yl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-onefilibuvirum(2R)-2-cyclopentyl-2-(2-(2,6-diethylpyridin-4-yl)ethyl)-5-((5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)-4-hydroxy-3H-pyran-6-oneRefChem:921608
Data from PubChem (NCBI)
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