2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid

C117H108Br8I2N30O11S2Si2 — CID 158382513

About 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid

2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid (PubChem CID 158382513) has the molecular formula C117H108Br8I2N30O11S2Si2 and a molecular weight of 3123.70 g/mol. Its IUPAC name is 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid
• PubChem CID: 158382513
• Molecular Formula: C117H108Br8I2N30O11S2Si2
• Molecular Weight: 3123.70 g/mol
• Exact Mass: 3113.94
• IUPAC Name: 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid
• SMILES: Brc1cnc2[nH]cc(I)c2n1.Brc1cnc2[nH]ccc2n1.CC(=O)Nc1ncc(Br)nc1C#C[Si](C)(C)C.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)nc12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)O)c3)nc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(Br)nc12.C[Si](C)(C)C#Cc1nc(Br)cnc1N.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Br)cnc32)cc1.Nc1ncc(Br)nc1Br
• InChI: InChI=1S/C28H32N6O2.C20H16BrN3O3S.C20H15N3O3.C13H9BrIN3O2S.C11H14BrN3OSi.C9H12BrN3Si.C6H3BrIN3.C6H4BrN3.C4H3Br2N3/c1-32(2)11-12-33-13-15-34(16-14-33)28(35)21-8-6-7-20(17-21)24-19-30-27-26(31-24)23(18-29-27)22-9-4-5-10-25(22)36-3;1-13-7-9-14(10-8-13)28(25,26)24-12-16(15-5-3-4-6-17(15)27-2)19-20(24)22-11-18(21)23-19;1-26-17-8-3-2-7-14(17)15-10-21-19-18(15)23-16(11-22-19)12-5-4-6-13(9-12)20(24)25;1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12;1-8(16)14-11-9(5-6-17(2,3)4)15-10(12)7-13-11;1-14(2,3)5-4-7-9(11)12-6-8(10)13-7;7-4-2-10-6-5(11-4)3(8)1-9-6;7-5-3-9-6-4(10-5)1-2-8-6;5-2-1-8-4(7)3(6)9-2/h4-10,17-19H,11-16H2,1-3H3,(H,29,30);3-12H,1-2H3;2-11H,1H3,(H,21,22)(H,24,25);2-7H,1H3;7H,1-4H3,(H,13,14,16);6H,1-3H3,(H2,11,12);1-2H,(H,9,10);1-3H,(H,8,9);1H,(H2,7,8)
• InChIKey: GVYXNWOEPOXCMA-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 546.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3123.70
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid?

The IUPAC name of 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid (CID 158382513) is 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid.

What is the SMILES notation for 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid?

The canonical SMILES for 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid is Brc1cnc2[nH]cc(I)c2n1.Brc1cnc2[nH]ccc2n1.CC(=O)Nc1ncc(Br)nc1C#C[Si](C)(C)C.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)nc12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)O)c3)nc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(Br)nc12.C[Si](C)(C)C#Cc1nc(Br)cnc1N.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Br)cnc32)cc1.Nc1ncc(Br)nc1Br.

What is the InChIKey of 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid?

The InChIKey is GVYXNWOEPOXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C20H16BrN3O3S.C20H15N3O3.C13H9BrIN3O2S.C11H14BrN3OSi.C9H12BrN3Si.C6H3BrIN3.C6H4BrN3.C4H3Br2N3/c1-32(2)11-12-33-13-15-34(16-14-33)28(35)21-8-6-7-20(17-21)24-19-30-27-26(31-24)23(18-29-27)22-9-4-5-10-25(22)36-3;1-13-7-9-14(10-8-13)28(25,26)24-12-16(15-5-3-4-6-17(15)27-2)19-20(24)22-11-18(21)23-19;1-26-17-8-3-2-7-14(17)15-10-21-19-18(15)23-16(11-22-19)12-5-4-6-13(9-12)20(24)25;1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12;1-8(16)14-11-9(5-6-17(2,3)4)15-10(12)7-13-11;1-14(2,3)5-4-7-9(11)12-6-8(10)13-7;7-4-2-10-6-5(11-4)3(8)1-9-6;7-5-3-9-6-4(10-5)1-2-8-6;5-2-1-8-4(7)3(6)9-2/h4-10,17-19H,11-16H2,1-3H3,(H,29,30);3-12H,1-2H3;2-11H,1H3,(H,21,22)(H,24,25);2-7H,1H3;7H,1-4H3,(H,13,14,16);6H,1-3H3,(H2,11,12);1-2H,(H,9,10);1-3H,(H,8,9);1H,(H2,7,8).

What are the key properties of 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid?

2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid has a molecular weight of 3123.70 g/mol, XLogP of 25.48, 18 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine;5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine;N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]acetamide;3,5-dibromopyrazin-2-amine;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanone;3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 158382513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).