2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C98H105BrI2N18O17 — CID 159042884

About 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 159042884) has the molecular formula C98H105BrI2N18O17 and a molecular weight of 2140.74 g/mol. Its IUPAC name is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
• PubChem CID: 159042884
• Molecular Formula: C98H105BrI2N18O17
• Molecular Weight: 2140.74 g/mol
• Exact Mass: 2138.52
• IUPAC Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
• SMILES: Brc1cnc2[nH]ccc2n1.COc1cc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]cc(I)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]ccc3n2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(I)cn3C)cc(OC)c1OC
• InChI: InChI=1S/C23H29N3O4.C23H27N3O4.C16H16IN3O3.C15H14IN3O3.C15H15N3O3.C6H4BrN3/c2*1-23(8-6-5-7-9-23)21(27)15-12-24-22-19(15)26-16(13-25-22)14-10-17(28-2)20(30-4)18(11-14)29-3;1-20-8-10(17)14-16(20)18-7-11(19-14)9-5-12(21-2)15(23-4)13(6-9)22-3;1-20-11-4-8(5-12(21-2)14(11)22-3)10-7-18-15-13(19-10)9(16)6-17-15;1-19-12-6-9(7-13(20-2)14(12)21-3)11-8-17-15-10(18-11)4-5-16-15;7-5-3-9-6-4(10-5)1-2-8-6/h10-13,21,27H,5-9H2,1-4H3,(H,24,25);10-13H,5-9H2,1-4H3,(H,24,25);5-8H,1-4H3;4-7H,1-3H3,(H,17,18);4-8H,1-3H3,(H,16,17);1-3H,(H,8,9)
• InChIKey: JWHDDHJZDODPSP-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 414.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.74
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 159042884) is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

What is the SMILES notation for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The canonical SMILES for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is Brc1cnc2[nH]ccc2n1.COc1cc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]cc(I)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3[nH]ccc3n2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(I)cn3C)cc(OC)c1OC.

What is the InChIKey of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The InChIKey is JWHDDHJZDODPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.C23H27N3O4.C16H16IN3O3.C15H14IN3O3.C15H15N3O3.C6H4BrN3/c2*1-23(8-6-5-7-9-23)21(27)15-12-24-22-19(15)26-16(13-25-22)14-10-17(28-2)20(30-4)18(11-14)29-3;1-20-8-10(17)14-16(20)18-7-11(19-14)9-5-12(21-2)15(23-4)13(6-9)22-3;1-20-11-4-8(5-12(21-2)14(11)22-3)10-7-18-15-13(19-10)9(16)6-17-15;1-19-12-6-9(7-13(20-2)14(12)21-3)11-8-17-15-10(18-11)4-5-16-15;7-5-3-9-6-4(10-5)1-2-8-6/h10-13,21,27H,5-9H2,1-4H3,(H,24,25);10-13H,5-9H2,1-4H3,(H,24,25);5-8H,1-4H3;4-7H,1-3H3,(H,17,18);4-8H,1-3H3,(H,16,17);1-3H,(H,8,9).

What are the key properties of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?

2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 2140.74 g/mol, XLogP of 20.35, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 159042884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).