CAS 1201186-54-0

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

5 Suppliers, 5 End Use APIs, 35 Related Intermediates

5 Suppliers
5 End Use APIs
35 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1201186-54-0, N-tosyl-5-bromo-4,7-diazaindole, 2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine, Mfcd12964053, 2-bromo-5-(p-tolylsulfonyl)-5h-pyrrolo[2,3-b]pyrazine, 5h-pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-

Molecular Formula

C₁₃H₁₀BrN₃O₂S

Molecular Weight

352.21 g/mol

InChI Key

UMZKBENCNNDLRF-UHFFFAOYSA-N

1 2D Structure

CAS 1201186-54-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

2.1.2 InChI

InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3

2.1.3 InChI Key

UMZKBENCNNDLRF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1201186-54-0

2. N-tosyl-5-bromo-4,7-diazaindole

3. 2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

4. Mfcd12964053

5. 2-bromo-5-(p-tolylsulfonyl)-5h-pyrrolo[2,3-b]pyrazine

6. 5h-pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-

7. Schembl1536030

8. Dtxsid40680926

9. 2-bromo-5-(4-methylbenzenesulfonyl)-5h-pyrrolo[2,3-b]pyrazine

10. Amy13923

11. Bcp30870

12. Zinc40448943

13. Akos015919870

14. Cs-w009203

15. Ds-0650

16. Ac-31350

17. Da-26771

18. Sy046042

19. Ft-0712655

20. A857696

21. 2-bromo-5-(toluene-4-sulfonyl)-5h-pyrrolo[2,3-b]pyrazine

22. 2-bromo-5-(4-methylbenzene-1-sulfonyl)-5h-pyrrolo[2,3-b]pyrazine

23. 2-bromo-5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazine

2.3 Create Date

2011-06-21

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀BrN₃O₂S
Molecular Weight	352.21 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	350.96771 g/mol
Monoisotopic Mass	350.96771 g/mol
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445
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