Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 1013916-37-4, 2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one, 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one, Mfcd13181207, 2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one, Schembl2969552
Molecular Formula
C13H14ClN3O
Molecular Weight
263.72  g/mol
InChI Key
BSKNQSYIDZUXQT-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
2.1.2 InChI
InChI=1S/C13H14ClN3O/c1-8-6-11(18)17(9-4-2-3-5-9)12-10(8)7-15-13(14)16-12/h6-7,9H,2-5H2,1H3
2.1.3 InChI Key
BSKNQSYIDZUXQT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1013916-37-4

2. 2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

3. 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

4. Mfcd13181207

5. 2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one

6. Schembl2969552

7. Amy3333

8. Dtxsid50658035

9. Bcp11685

10. Cs-b0328

11. Pyrido[2,3-d]pyrimidin-7(8h)-one, 2-chloro-8-cyclopentyl-5-methyl-

12. Zinc72284464

13. Akos016007194

14. Sb17741

15. Ac-29706

16. As-10034

17. Sy069699

18. Ft-0697066

19. 2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one

20. Pyrido[2,3-d]pyrimidin-7(8h)-one,2-chloro-8-cyclopentyl-5-methyl-

21. 2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one, Aldrichcpr

2.3 Create Date
2009-11-09
3 Chemical and Physical Properties
Molecular Weight 263.72 g/mol
Molecular Formula C13H14ClN3O
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass263.0825398 g/mol
Monoisotopic Mass263.0825398 g/mol
Topological Polar Surface Area46.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1