1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C113H112Br2N18O15S4 — CID 158324874

About 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 158324874) has the molecular formula C113H112Br2N18O15S4 and a molecular weight of 2250.33 g/mol. Its IUPAC name is 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 158324874
• Molecular Formula: C113H112Br2N18O15S4
• Molecular Weight: 2250.33 g/mol
• Exact Mass: 2246.58
• IUPAC Name: 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12.Cc1ccc(S(=O)(=O)n2cc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4C)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(-c4c[nH]c5ccccc45)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(Br)cnc32)cc1
• InChI: InChI=1S/C31H32N4O5S.C27H26N4O3S.C26H24N4O3S.C18H18BrN3O3S.C11H12BrN3O/c1-19-12-14-20(15-13-19)41(38,39)35-18-23(27(36)30(2,3)4)26-28(35)32-16-24(33-26)22-17-34(29(37)40-31(5,6)7)25-11-9-8-10-21(22)25;1-17-10-12-18(13-11-17)35(33,34)31-16-20(19-8-6-7-9-23(19)31)22-14-28-26-24(29-22)21(15-30(26)5)25(32)27(2,3)4;1-16-9-11-17(12-10-16)34(32,33)30-15-20(24(31)26(2,3)4)23-25(30)28-14-22(29-23)19-13-27-21-8-6-5-7-18(19)21;1-11-5-7-12(8-6-11)26(24,25)22-10-13(16(23)18(2,3)4)15-17(22)20-9-14(19)21-15;1-11(2,3)9(16)6-4-13-10-8(6)15-7(12)5-14-10/h8-18H,1-7H3;6-16H,1-5H3;5-15,27H,1-4H3;5-10H,1-4H3;4-5H,1-3H3,(H,13,14)
• InChIKey: GPHCGJQAHCHBDJ-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 438.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.33
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 158324874) is 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12.Cc1ccc(S(=O)(=O)n2cc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4C)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(-c4c[nH]c5ccccc45)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)C(C)(C)C)c3nc(Br)cnc32)cc1.

What is the InChIKey of 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The InChIKey is GPHCGJQAHCHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5S.C27H26N4O3S.C26H24N4O3S.C18H18BrN3O3S.C11H12BrN3O/c1-19-12-14-20(15-13-19)41(38,39)35-18-23(27(36)30(2,3)4)26-28(35)32-16-24(33-26)22-17-34(29(37)40-31(5,6)7)25-11-9-8-10-21(22)25;1-17-10-12-18(13-11-17)35(33,34)31-16-20(19-8-6-7-9-23(19)31)22-14-28-26-24(29-22)21(15-30(26)5)25(32)27(2,3)4;1-16-9-11-17(12-10-16)34(32,33)30-15-20(24(31)26(2,3)4)23-25(30)28-14-22(29-23)19-13-27-21-8-6-5-7-18(19)21;1-11-5-7-12(8-6-11)26(24,25)22-10-13(16(23)18(2,3)4)15-17(22)20-9-14(19)21-15;1-11(2,3)9(16)6-4-13-10-8(6)15-7(12)5-14-10/h8-18H,1-7H3;6-16H,1-5H3;5-15,27H,1-4H3;5-10H,1-4H3;4-5H,1-3H3,(H,13,14).

What are the key properties of 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2250.33 g/mol, XLogP of 24.25, 16 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;tert-butyl 3-[7-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]indole-1-carboxylate;2,2-dimethyl-1-[5-methyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(1H-indol-3-yl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158324874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).