2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine

C81H71Br5N14O6 — CID 158405572

About 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine

2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158405572) has the molecular formula C81H71Br5N14O6 and a molecular weight of 1736.07 g/mol. Its IUPAC name is 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158405572
• Molecular Formula: C81H71Br5N14O6
• Molecular Weight: 1736.07 g/mol
• Exact Mass: 1730.16
• IUPAC Name: 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1cnc2[nH]ccc2c1.CN(C)C(=O)c1cc(-c2cnc3c(c2)c(C2OCc4ccccc42)cn3C)ccc1N.Cn1cc(C(O)c2ccccc2CO)c2cc(Br)cnc21.Cn1cc(C2OCc3ccccc32)c2cc(Br)cnc21.Cn1cc(C=O)c2cc(Br)cnc21.Cn1ccc2cc(Br)cnc21
• InChI: InChI=1S/C25H24N4O2.C16H15BrN2O2.C16H13BrN2O.C9H7BrN2O.C8H7BrN2.C7H5BrN2/c1-28(2)25(30)20-10-15(8-9-22(20)26)17-11-19-21(13-29(3)24(19)27-12-17)23-18-7-5-4-6-16(18)14-31-23;1-19-8-14(13-6-11(17)7-18-16(13)19)15(21)12-5-3-2-4-10(12)9-20;1-19-8-14(13-6-11(17)7-18-16(13)19)15-12-5-3-2-4-10(12)9-20-15;1-12-4-6(5-13)8-2-7(10)3-11-9(8)12;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6/h4-13,23H,14,26H2,1-3H3;2-8,15,20-21H,9H2,1H3;2-8,15H,9H2,1H3;2-5H,1H3;2-5H,1H3;1-4H,(H,9,10)
• InChIKey: GYQLQJYSUYWQQM-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 240.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.07
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine (CID 158405572) is 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]ccc2c1.CN(C)C(=O)c1cc(-c2cnc3c(c2)c(C2OCc4ccccc42)cn3C)ccc1N.Cn1cc(C(O)c2ccccc2CO)c2cc(Br)cnc21.Cn1cc(C2OCc3ccccc32)c2cc(Br)cnc21.Cn1cc(C=O)c2cc(Br)cnc21.Cn1ccc2cc(Br)cnc21.

What is the InChIKey of 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GYQLQJYSUYWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.C16H15BrN2O2.C16H13BrN2O.C9H7BrN2O.C8H7BrN2.C7H5BrN2/c1-28(2)25(30)20-10-15(8-9-22(20)26)17-11-19-21(13-29(3)24(19)27-12-17)23-18-7-5-4-6-16(18)14-31-23;1-19-8-14(13-6-11(17)7-18-16(13)19)15(21)12-5-3-2-4-10(12)9-20;1-19-8-14(13-6-11(17)7-18-16(13)19)15-12-5-3-2-4-10(12)9-20-15;1-12-4-6(5-13)8-2-7(10)3-11-9(8)12;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6/h4-13,23H,14,26H2,1-3H3;2-8,15,20-21H,9H2,1H3;2-8,15H,9H2,1H3;2-5H,1H3;2-5H,1H3;1-4H,(H,9,10).

What are the key properties of 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine?

2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1736.07 g/mol, XLogP of 17.82, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;5-bromo-3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde;(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-[2-(hydroxymethyl)phenyl]methanol;5-bromo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158405572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).