CAS 1211443-61-6

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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

CAS 1211443-61-6

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 Formula	C₁₄H₁₇ClN₄O
Molecular Weight	292.76 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	292.1090889 g/mol
Monoisotopic Mass	292.1090889 g/mol
Topological Polar Surface Area	51 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	372
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