CAS 444731-74-2

1 2D Structure

CAS 444731-74-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine

2.1.2 InChI

InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)

2.1.3 InChI Key

SCUMWVJJSLLWHQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C2C=CC(=CC2=NN1C)NC3=NC(=NC=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 444731-74-2

2. 6-[n-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2h-indazole

3. N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine

4. N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-2h-indazol-6-amine

5. 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-

6. Schembl588939

7. Dtxsid50469840

8. 2h-indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-

9. Bcp18727

10. Cs-b0768

11. Mfcd17014818

12. Zinc35976996

13. Akos015918002

14. Gs-0913

15. Ac-27690

16. Db-038009

17. Am20090658

18. Ft-0687640

19. F11990

20. N-(chloropyrimidine-4-yl)-2,3-dimethyl-2h-indazol-6-amine

21. N-(2-chloropyrimidin-4-yl)-2,3-dimethyl-2h- Indazol-6-amine

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂ClN₅
Molecular Weight	273.72 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	273.0781231 g/mol
Monoisotopic Mass	273.0781231 g/mol
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	315
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

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