4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid

C61H50BBrClN15O4 — CID 158668429

About 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid

4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid (PubChem CID 158668429) has the molecular formula C61H50BBrClN15O4 and a molecular weight of 1183.34 g/mol. Its IUPAC name is 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid
• PubChem CID: 158668429
• Molecular Formula: C61H50BBrClN15O4
• Molecular Weight: 1183.34 g/mol
• Exact Mass: 1181.31
• IUPAC Name: 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid
• SMILES: Brc1ccnc2[nH]ccc12.Cc1cc(-c2cccc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.O=C(CCl)Nc1ccc(-c2cnccn2)cn1.OB(O)c1ccncc1.c1ccc(-c2ccnc3[nH]ccc23)cc1
• InChI: InChI=1S/C25H20N6O.C13H10N2.C11H9ClN4O.C7H5BrN2.C5H6BNO2/c1-17-13-18(7-9-27-17)20-3-2-4-23-21(20)8-12-31(23)16-25(32)30-24-6-5-19(14-29-24)22-15-26-10-11-28-22;1-2-4-10(5-3-1)11-6-8-14-13-12(11)7-9-15-13;12-5-11(17)16-10-2-1-8(6-15-10)9-7-13-3-4-14-9;8-6-2-4-10-7-5(6)1-3-9-7;8-6(9)5-1-3-7-4-2-5/h2-15H,16H2,1H3,(H,29,30,32);1-9H,(H,14,15);1-4,6-7H,5H2,(H,15,16,17);1-4H,(H,9,10);1-4,8-9H
• InChIKey: IDQMOCBAZFDBQJ-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 264.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1183.34
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid?

The IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid (CID 158668429) is 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid.

What is the SMILES notation for 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid?

The canonical SMILES for 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid is Brc1ccnc2[nH]ccc12.Cc1cc(-c2cccc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.O=C(CCl)Nc1ccc(-c2cnccn2)cn1.OB(O)c1ccncc1.c1ccc(-c2ccnc3[nH]ccc23)cc1.

What is the InChIKey of 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid?

The InChIKey is IDQMOCBAZFDBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O.C13H10N2.C11H9ClN4O.C7H5BrN2.C5H6BNO2/c1-17-13-18(7-9-27-17)20-3-2-4-23-21(20)8-12-31(23)16-25(32)30-24-6-5-19(14-29-24)22-15-26-10-11-28-22;1-2-4-10(5-3-1)11-6-8-14-13-12(11)7-9-15-13;12-5-11(17)16-10-2-1-8(6-15-10)9-7-13-3-4-14-9;8-6-2-4-10-7-5(6)1-3-9-7;8-6(9)5-1-3-7-4-2-5/h2-15H,16H2,1H3,(H,29,30,32);1-9H,(H,14,15);1-4,6-7H,5H2,(H,15,16,17);1-4H,(H,9,10);1-4,8-9H.

What are the key properties of 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid?

4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid has a molecular weight of 1183.34 g/mol, XLogP of 10.54, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1H-pyrrolo[2,3-b]pyridine;2-chloro-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)indol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;4-phenyl-1H-pyrrolo[2,3-b]pyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 158668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).