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Also known as: 1643489-24-0, (rac)-tavapadon, Tavapadon [usan], Pf-06649751, Pt4p8mjp8l, Cvl-751

Molecular Formula

C₁₉H₁₆F₃N₃O₃

Molecular Weight

391.3 g/mol

InChI Key

AKQXQLUNFKDZBN-UHFFFAOYSA-N

FDA UNII

PT4P8MJP8L

Tavapadon is under investigation in clinical trial NCT02262767 (A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of PF-06649751 Co-administered With Trimethobenzamide Hydrochloride in Healthy Subjects).

1 2D Structure

Tavapadon

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)

2.1.3 InChI Key

AKQXQLUNFKDZBN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C(F)(F)F)C3=C(C(=O)NC(=O)N3C)C

2.2 Other Identifiers

2.2.1 UNII

PT4P8MJP8L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1643489-24-0

2. (rac)-tavapadon

3. Tavapadon [usan]

4. Pf-06649751

5. Pt4p8mjp8l

6. Cvl-751

7. Tavapadon (usan)

8. 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidine-2,4-dione

9. 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione

10. 2,4(1h,3h)-pyrimidinedione, 1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)-, (-)-

11. Tavapadon [inn]

12. Unii-pt4p8mjp8l

13. Chembl3697617

14. Schembl16334991

15. Dtxsid301337071

16. Bcp32804

17. Ex-a3416

18. Db14899

19. Hy-119486a

20. Ac-36997

21. Cs-0131271

22. D11431

23. (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)-2,4(1h,3h)-pyrimidinedione

24. (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4(1h,3h)-pyrimidinedione

25. (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)pyrimidine-2,4(1h,3h)-dione

26. 1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)pyrimidine-2,4(1h,3h)-dione

27. 86w

28. Pf-06649751;pf 06649751;pf-6649751;pf-06649751;pf06649751;pf 06649751

2.4 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₆F₃N₃O₃
Molecular Weight	391.3 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	391.11437587 g/mol
Monoisotopic Mass	391.11437587 g/mol
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	665
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