Verinurad
2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
Molecular Identity
Verinurad
2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
PubChem CID: 54767229
2D Structure
Properties
C20H16N2O2S
Molecular Formula
348.40
Molecular Weight
g/mol
348.0932
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
99.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
541
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#NIsomeric SMILES
SMILES: CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#NSynonyms(20)
Verinurad1352792-74-5RDEA3170RDEA-317012WJ62D047Propanoic acid, 2-((3-(4-cyano-1-naphthalenyl)-4-pyridinyl)thio)-2-methyl-2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoic acidverinuradum2-(3-(4-cyanonaphthalen-1-yl)pyridin-4-yl)sulfanyl-2-methylpropanoic acidPropanoic acid, 2-[[3-(4-cyano-1-naphthalenyl)-4-pyridinyl]thio]-2-methyl-RefChem:9018072-((3-(4-cyano-1-naphthyl)-4-pyridinyl)sulfanyl)-2-methylpropanoic acid2-((3-(4-cyanonaphthalen-1-yl)pyridin-4-yl)sulfanyl)-2-methylpropanoic acidVerinurad [INN]2-((3-(4-cyanonaphthalen-1-yl)pyridin-4-yl)thio)-2-methylpropanoic acid
Data from PubChem (NCBI)
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