Lersivirine
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
Molecular Identity
Lersivirine
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
PubChem CID: 16739244
Lersivirine is an aromatic ether.
2D Structure
Properties
C17H18N4O2
Molecular Formula
310.35
Molecular Weight
g/mol
310.1430
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
94.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
455
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#NIsomeric SMILES
SMILES: CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#NSynonyms(20)
Lersivirine473921-12-9UK-453061UK-453,061LersivirinaR3ZGC15A9A5-{[3,5-Diethyl-1-(2-Hydroxyethyl)-1h-Pyrazol-4-Yl]oxy}benzene-1,3-DicarbonitrileDTXSID0057881UK 453,0611,3-Benzenedicarbonitrile, 5-((3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl)oxy)-UK 4530615-((3,5-Diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl)oxy)benzene-1,3-dicarbonitrilelersivirinumRefChem:798960DTXCID7031668
Data from PubChem (NCBI)
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Drug Network
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