1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C81H69BBr3ClN22O5 — CID 159657323

About 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 159657323) has the molecular formula C81H69BBr3ClN22O5 and a molecular weight of 1716.57 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• PubChem CID: 159657323
• Molecular Formula: C81H69BBr3ClN22O5
• Molecular Weight: 1716.57 g/mol
• Exact Mass: 1712.32
• IUPAC Name: 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• SMILES: Brc1ncnc2[nH]ccc12.Cc1cc(-c2ccnc3[nH]ccc23)ccn1.Cc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Cc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(Br)cn2)ccn1.Cc1cc(B(O)O)ccn1.Cc1cnccn1.O=C(CCl)c1ccc(Br)cn1
• InChI: InChI=1S/C24H19N7O.C20H16BrN5O.C13H11N3.C7H5BrClNO.C6H8BNO2.C6H4BrN3.C5H6N2/c1-16-12-17(4-7-26-16)19-5-8-28-24-20(19)6-11-31(24)15-23(32)30-22-3-2-18(13-29-22)21-14-25-9-10-27-21;1-13-10-14(4-7-22-13)16-5-8-23-20-17(16)6-9-26(20)12-19(27)25-18-3-2-15(21)11-24-18;1-9-8-10(2-5-14-9)11-3-6-15-13-12(11)4-7-16-13;8-5-1-2-6(10-4-5)7(11)3-9;1-5-4-6(7(9)10)2-3-8-5;7-5-4-1-2-8-6(4)10-3-9-5;1-5-4-6-2-3-7-5/h2-14H,15H2,1H3,(H,29,30,32);2-11H,12H2,1H3,(H,24,25,27);2-8H,1H3,(H,15,16);1-2,4H,3H2;2-4,9-10H,1H3;1-3H,(H,8,9,10);2-4H,1H3
• InChIKey: MSILHAHBCZXXFU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 363.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.57
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 159657323) is 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Brc1ncnc2[nH]ccc12.Cc1cc(-c2ccnc3[nH]ccc23)ccn1.Cc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Cc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(Br)cn2)ccn1.Cc1cc(B(O)O)ccn1.Cc1cnccn1.O=C(CCl)c1ccc(Br)cn1.

What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The InChIKey is MSILHAHBCZXXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O.C20H16BrN5O.C13H11N3.C7H5BrClNO.C6H8BNO2.C6H4BrN3.C5H6N2/c1-16-12-17(4-7-26-16)19-5-8-28-24-20(19)6-11-31(24)15-23(32)30-22-3-2-18(13-29-22)21-14-25-9-10-27-21;1-13-10-14(4-7-22-13)16-5-8-23-20-17(16)6-9-26(20)12-19(27)25-18-3-2-15(21)11-24-18;1-9-8-10(2-5-14-9)11-3-6-15-13-12(11)4-7-16-13;8-5-1-2-6(10-4-5)7(11)3-9;1-5-4-6(7(9)10)2-3-8-5;7-5-4-1-2-8-6(4)10-3-9-5;1-5-4-6-2-3-7-5/h2-14H,15H2,1H3,(H,29,30,32);2-11H,12H2,1H3,(H,24,25,27);2-8H,1H3,(H,15,16);1-2,4H,3H2;2-4,9-10H,1H3;1-3H,(H,8,9,10);2-4H,1H3.

What are the key properties of 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 1716.57 g/mol, XLogP of 14.87, 13 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-pyridinyl)-2-chloroethanone;N-(5-bromo-2-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-methylpyrazine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 159657323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).