1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

2.1.2 InChI

InChI=1S/C14H8ClF3N4O/c15-8-3-1-2-4-9(8)22-12-7(11(19)21-13(22)23)5-6-10(20-12)14(16,17)18/h1-6H,(H2,19,21,23)

2.1.3 InChI Key

BVNKURJMNQNVAO-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

T46P23PK39

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2439277-80-0

2. 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido(2,3-d)pyrimidin-2(1h)-one

3. 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1h)-one

4. Mat2a-in-9?

5. Schembl22103481

6. Ex-a8014k

7. Ide-397

8. Bvnkurjmnqnvao-uhfffaoysa-n

9. Bdbm508034

10. T46p23pk39

11. Us11046691, Compound 167

12. 4-amino-1-(2-chlorophenyl)-7-(trifluoro-methyl)pyrido[2,3-d]pyrimidin-2(1h)-one

13. Ms-25205

14. Db-380487

15. Hy-148499

16. Ide397 (gsk-4362676)

17. Cs-0628754

18. 4-amino-1-(2-chlorophenyl)-7- (trifluoro-methyl)pyrido[2,3- D]pyrimidin-2(1h)-one

19. Pyrido[2,3-d]pyrimidin-2(1h)-one, 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-

2.4 Create Date

2020-08-13

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₈ClF₃N₄O
Molecular Weight	340.69 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	71.6
Heavy Atom Count	23
Formal Charge	0
Complexity	513
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

IDE-397