1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C93H98B2BrN15O7 — CID 159926471

About 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159926471) has the molecular formula C93H98B2BrN15O7 and a molecular weight of 1639.43 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 159926471
• Molecular Formula: C93H98B2BrN15O7
• Molecular Weight: 1639.43 g/mol
• Exact Mass: 1637.71
• IUPAC Name: 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: CC(=O)c1cccc(Br)n1.CCc1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C)n1.CCc1cc(-c2cccc(C(C)=O)n2)cc2nn(-c3cccc(C)n3)cc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C)n1.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C)n3)cc12
• InChI: InChI=1S/2C22H20N4O.2C21H26BN3O2.C7H6BrNO/c1-4-16-11-17(20-9-6-8-19(24-20)15(3)27)12-21-18(16)13-26(25-21)22-10-5-7-14(2)23-22;1-4-16-11-17(20-9-6-8-19(25-20)15(3)27)12-21-18(16)13-23-26(21)22-10-5-7-14(2)24-22;1-7-15-11-16(22-26-20(3,4)21(5,6)27-22)12-18-17(15)13-25(24-18)19-10-8-9-14(2)23-19;1-7-15-11-16(22-26-20(3,4)21(5,6)27-22)12-18-17(15)13-23-25(18)19-10-8-9-14(2)24-19;1-5(10)6-3-2-4-7(8)9-6/h2*5-13H,4H2,1-3H3;2*8-13H,7H2,1-6H3;2-4H,1H3
• InChIKey: NZBNYACFFGVHNW-UHFFFAOYSA-N
• XLogP: 18.34
• TPSA: 249.64 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.43
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159926471) is 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CC(=O)c1cccc(Br)n1.CCc1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C)n1.CCc1cc(-c2cccc(C(C)=O)n2)cc2nn(-c3cccc(C)n3)cc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C)n1.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C)n3)cc12.

What is the InChIKey of 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is NZBNYACFFGVHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N4O.2C21H26BN3O2.C7H6BrNO/c1-4-16-11-17(20-9-6-8-19(24-20)15(3)27)12-21-18(16)13-26(25-21)22-10-5-7-14(2)23-22;1-4-16-11-17(20-9-6-8-19(25-20)15(3)27)12-21-18(16)13-23-26(21)22-10-5-7-14(2)24-22;1-7-15-11-16(22-26-20(3,4)21(5,6)27-22)12-18-17(15)13-25(24-18)19-10-8-9-14(2)23-19;1-7-15-11-16(22-26-20(3,4)21(5,6)27-22)12-18-17(15)13-23-25(18)19-10-8-9-14(2)24-19;1-5(10)6-3-2-4-7(8)9-6/h2*5-13H,4H2,1-3H3;2*8-13H,7H2,1-6H3;2-4H,1H3.

What are the key properties of 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1639.43 g/mol, XLogP of 18.34, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-bromo-2-pyridinyl)ethanone;1-[6-[4-ethyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;1-[6-[4-ethyl-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;4-ethyl-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-ethyl-2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).