Xininurad
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone
Molecular Identity
Xininurad
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID: 139329673
2D Structure
Properties
C15H10Br2FN3O2
Molecular Formula
443.06
Molecular Weight
g/mol
442.9103
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
67.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
446
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(N2C=C(C=NC2=N1)F)C(=O)C3=CC(=C(C(=C3)Br)O)BrIsomeric SMILES
SMILES: CCC1=C(N2C=C(C=NC2=N1)F)C(=O)C3=CC(=C(C(=C3)Br)O)BrSynonyms(19)
Xininurad2365178-28-3Xininurad [INN]F6DN3L22S5UNII-F6DN3L22S5(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-6- fluoroimidazo(1,2-a)pyrimidin-3-yl)methanone(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanoneMethanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-6-fluoroimidazo(1,2-a)pyrimidin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-6- fluoroimidazo[1,2-a]pyrimidin-3-yl)methanoneMethanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-orb1687450CHEMBL5314450SCHEMBL21176886XNW3009DA-59186
Data from PubChem (NCBI)
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