Obeldesivir
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
Obeldesivir
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 162513664
2D Structure
Properties
C16H19N5O5
Molecular Formula
361.35
Molecular Weight
g/mol
361.1386
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
156
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
595
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)OIsomeric SMILES
SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)OSynonyms(20)
Obeldesivir2647441-36-7ATV006Q55KCM7PXBATV-006GS-5245RefChem:167337ATV 006Obeldesivir [INN]((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl isobutyrateUNII-Q55KCM7PXBMFCD34676487D-Altrononitrile, 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-, 6-(2-methylpropanoate)[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate2-C-(4-Aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-d -altrononitrile 6-(2-methylpropanoate)
Data from PubChem (NCBI)
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