Ly-2334737
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
Molecular Identity
Ly-2334737
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
PubChem CID: 11646777
2D Structure
Properties
C17H25F2N3O5
Molecular Formula
389.40
Molecular Weight
g/mol
389.1762
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
620
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)FIsomeric SMILES
SMILES: CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)FSynonyms(20)
LY2334737892128-60-8LY-2334737Cytidine, 2'-deoxy-2',2'-difluoro-N-(1-oxo-2-propylpentyl)-UNII-YLR364XYSAN-{1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-2-propylpentanamideN-(1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)-2-propylpentanamideRefChem:154538Gemcitabine Prodrug LY2334737YLR364XYSAN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamideN-(1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)-2-propylpentanamide2'-Deoxy-2',2'-difluoro-N-(1-oxo-2-propylpentyl)cytidineSCHEMBL595762CHEMBL577711
Data from PubChem (NCBI)
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