Suzetrigine

Synopsis, Chemistry

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Also known as: 2649467-58-1, 2-pyridinecarboxamide, 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-, Suzetrigine [inn], Log73m21h5, Schembl23462160, Gtpl12630

Molecular Formula

C₂₁H₂₀F₅N₃O₄

Molecular Weight

473.4 g/mol

InChI Key

XSQUJFKRXZMOKA-PAFIKIDNSA-N

FDA UNII

LOG73M21H5

1 2D Structure

Suzetrigine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C21H20F5N3O4/c1-9-14(11-4-5-12(22)15(23)16(11)32-3)17(33-20(9,2)21(24,25)26)19(31)29-10-6-7-28-13(8-10)18(27)30/h4-9,14,17H,1-3H3,(H2,27,30)(H,28,29,31)/t9-,14-,17+,20+/m0/s1

2.1.3 InChI Key

XSQUJFKRXZMOKA-PAFIKIDNSA-N

2.1.4 Canonical SMILES

CC1C(C(OC1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC

2.1.5 Isomeric SMILES

C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC

2.2 Other Identifiers

2.2.1 UNII

LOG73M21H5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2649467-58-1

2. 2-pyridinecarboxamide, 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-

3. Suzetrigine [inn]

4. Log73m21h5

5. Schembl23462160

6. Gtpl12630

7. Vx548

8. Ex-a7354

9. Vx-548

10. Compound 7 [wo2021113627a1]

11. Hy-148800

12. Cs-0641183

13. 4-[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)-4,5- Dimethyl-5-(trifluoromethyl)oxolane-2- Carboxamido]pyridine-2-carboxamide

14. 4-[[(2r, 3s, 4s, 5r)-3-(3, 4-difluoro-2-methoxyphenyl)-4, 5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

15. 4-[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

16. 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-2-pyridinecarboxamide

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀F₅N₃O₄
Molecular Weight	473.4 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	104
Heavy Atom Count	33
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1