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Technical details about CAS 1211443-61-6, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 1211443-61-6, Aq9ldb3z8s, Ribociclib chloro amide impurity, 2-chloro-7-cyclopentyl-n,n-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide, Mfcd20527881, 7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 2-chloro-7-cyclopentyl-n,n-dimethyl-
Molecular Formula
C14H17ClN4O
Molecular Weight
292.76  g/mol
InChI Key
PMDDQOHZLBZUSO-UHFFFAOYSA-N
FDA UNII
AQ9LDB3Z8S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
2.1.2 InChI
InChI=1S/C14H17ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
2.1.3 InChI Key
PMDDQOHZLBZUSO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)Cl
2.2 Other Identifiers
2.2.1 UNII
AQ9LDB3Z8S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1211443-61-6

2. Aq9ldb3z8s

3. Ribociclib Chloro Amide Impurity

4. 2-chloro-7-cyclopentyl-n,n-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

5. Mfcd20527881

6. 7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 2-chloro-7-cyclopentyl-n,n-dimethyl-

7. 7h-pyrrolo(2,3-d)pyrimidine-6-carboxamide, 2-chloro-7-cyclopentyl-n,n-dimethyl-

8. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid Dimethylamide

9. Unii-aq9ldb3z8s

10. Schembl1990321

11. Amy5304

12. Dtxsid701021191

13. Bcp10873

14. Cs-b1515

15. Akos026674082

16. Zinc117720372

17. Ds-9960

18. Sb17639

19. Ac-30655

20. Sy061057

21. F11677

22. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid Dimethyl Amide

23. 7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide,2-chloro-7-cyclopentyl-n,n-dimethyl-

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 292.76 g/mol
Molecular Formula C14H17ClN4O
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass292.1090889 g/mol
Monoisotopic Mass292.1090889 g/mol
Topological Polar Surface Area51 Ų
Heavy Atom Count20
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1