1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine

C107H107BBr4N24O6 — CID 158833290

About 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine

1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine (PubChem CID 158833290) has the molecular formula C107H107BBr4N24O6 and a molecular weight of 2155.62 g/mol. Its IUPAC name is 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine.

Molecular Properties

• Compound Name: 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• PubChem CID: 158833290
• Molecular Formula: C107H107BBr4N24O6
• Molecular Weight: 2155.62 g/mol
• Exact Mass: 2150.56
• IUPAC Name: 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• SMILES: Brc1cncc2c1CCCN2.CC(=O)N1CCCc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc21.CC(=O)N1CCCc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4C)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CN1CCCc2c(Br)cncc21.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
• InChI: InChI=1S/C25H22N6O.C24H20N6O.C21H23BN4O2.2C10H11BrN2O.C9H11BrN2.C8H9BrN2/c1-15(32)31-11-5-6-17-19(13-26-14-23(17)31)16-9-10-22-18(12-16)24(29-30(22)2)25-27-20-7-3-4-8-21(20)28-25;1-14(31)30-10-4-5-16-18(12-25-13-22(16)30)15-8-9-19-17(11-15)23(29-28-19)24-26-20-6-2-3-7-21(20)27-24;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;2*1-7(14)13-4-2-3-8-9(11)5-12-6-10(8)13;1-12-4-2-3-7-8(10)5-11-6-9(7)12;9-7-4-10-5-8-6(7)2-1-3-11-8/h3-4,7-10,12-14H,5-6,11H2,1-2H3,(H,27,28);2-3,6-9,11-13H,4-5,10H2,1H3,(H,26,27)(H,28,29);6-12H,1-5H3,(H,23,24);2*5-6H,2-4H2,1H3;5-6H,2-4H2,1H3;4-5,11H,1-3H2
• InChIKey: IXHVYKZSDWLFDL-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 342.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.62
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine?

The IUPAC name of 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine (CID 158833290) is 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine.

What is the SMILES notation for 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine?

The canonical SMILES for 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine is Brc1cncc2c1CCCN2.CC(=O)N1CCCc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc21.CC(=O)N1CCCc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4C)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CN1CCCc2c(Br)cncc21.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.

What is the InChIKey of 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine?

The InChIKey is IXHVYKZSDWLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O.C24H20N6O.C21H23BN4O2.2C10H11BrN2O.C9H11BrN2.C8H9BrN2/c1-15(32)31-11-5-6-17-19(13-26-14-23(17)31)16-9-10-22-18(12-16)24(29-30(22)2)25-27-20-7-3-4-8-21(20)28-25;1-14(31)30-10-4-5-16-18(12-25-13-22(16)30)15-8-9-19-17(11-15)23(29-28-19)24-26-20-6-2-3-7-21(20)27-24;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;2*1-7(14)13-4-2-3-8-9(11)5-12-6-10(8)13;1-12-4-2-3-7-8(10)5-11-6-9(7)12;9-7-4-10-5-8-6(7)2-1-3-11-8/h3-4,7-10,12-14H,5-6,11H2,1-2H3,(H,27,28);2-3,6-9,11-13H,4-5,10H2,1H3,(H,26,27)(H,28,29);6-12H,1-5H3,(H,23,24);2*5-6H,2-4H2,1H3;5-6H,2-4H2,1H3;4-5,11H,1-3H2.

What are the key properties of 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine?

1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine has a molecular weight of 2155.62 g/mol, XLogP of 21.08, 6 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 158833290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).