1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C23H16Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-2,5-8H,4,9-12H2

2.1.3 InChI Key

SFQLCDMAEZUPES-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

FMV68MJ8XK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. S-892216

2. 2996148-73-1

3. Secutrelvir [inn]

4. Fmv68mj8xk

5. Gtpl13738

6. Bdbm728381

7. Ex-a12166

8. Us20250092056, Compound I-077

9. Compound I-077 [wo2023195530a1]

10. S892216

11. [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]acetonitrile

2.4 Create Date

2025-04-01

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₆Cl₂F₃N₅O₂
Molecular Weight	522.3 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80.5
Heavy Atom Count	35
Formal Charge	0
Complexity	985
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Secutrelvir

Secutrelvir

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