Secutrelvir
2-[5-(3-chloro-4-fluorophenyl)-3-(5-chloro-3-pyridinyl)-6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-2,4-dioxopyrimidin-1-yl]acetonitrile
Molecular Identity
Secutrelvir
2-[5-(3-chloro-4-fluorophenyl)-3-(5-chloro-3-pyridinyl)-6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-2,4-dioxopyrimidin-1-yl]acetonitrile
PubChem CID: 172879835
2D Structure
Properties
C23H16Cl2F3N5O2
Molecular Formula
522.30
Molecular Weight
g/mol
521.0633
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
80.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
985
Complexity
SMILES
Canonical SMILES
SMILES: C1C2(CC1(F)F)CN(C2)C3=C(C(=O)N(C(=O)N3CC#N)C4=CC(=CN=C4)Cl)C5=CC(=C(C=C5)F)ClIsomeric SMILES
SMILES: C1C2(CC1(F)F)CN(C2)C3=C(C(=O)N(C(=O)N3CC#N)C4=CC(=CN=C4)Cl)C5=CC(=C(C=C5)F)ClSynonyms(15)
Secutrelvir2996148-73-1S-892216secutrelvir [INN]FMV68MJ8XKorb3028768GTPL13738BDBM728381EX-A12166US20250092056, Compound I-077compound I-077 [WO2023195530A1]S892216T206356[5-(3-chloro-4-fluorophenyl)-3-(5-chloropyridin-3-yl)-6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetonitrile2-[5-(3-chloro-4-fluorophenyl)-3-(5-chloro-3-pyridinyl)-6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-2,4-dioxopyrimidin-1-yl]acetonitrile
Data from PubChem (NCBI)
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