2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine

C97H121BBr4N18O9SSi3 — CID 159005290

About 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine

2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine (PubChem CID 159005290) has the molecular formula C97H121BBr4N18O9SSi3 and a molecular weight of 2129.90 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine.

Molecular Properties

• Compound Name: 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• PubChem CID: 159005290
• Molecular Formula: C97H121BBr4N18O9SSi3
• Molecular Weight: 2129.90 g/mol
• Exact Mass: 2124.54
• IUPAC Name: 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• SMILES: Brc1cncc2c1CCCN2.CC(=O)N1CCCc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCS(=O)(=O)N1CCCc2c(Br)cncc21
• InChI: InChI=1S/C30H34N6O2Si.C26H35BN4O3Si.C13H21BrN2O2SSi.2C10H11BrN2O.C8H9BrN2/c1-20(37)35-13-7-8-22-24(17-31-18-28(22)35)21-11-12-27-23(16-21)29(30-32-25-9-5-6-10-26(25)33-30)34-36(27)19-38-14-15-39(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-20(2,3)8-7-19(17,18)16-6-4-5-11-12(14)9-15-10-13(11)16;2*1-7(14)13-4-2-3-8-9(11)5-12-6-10(8)13;9-7-4-10-5-8-6(7)2-1-3-11-8/h5-6,9-12,16-18H,7-8,13-15,19H2,1-4H3,(H,32,33);8-13,16H,14-15,17H2,1-7H3,(H,28,29);9-10H,4-8H2,1-3H3;2*5-6H,2-4H2,1H3;4-5,11H,1-3H2
• InChIKey: JRVODOBCVAQFDD-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 304.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.90
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine (CID 159005290) is 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine.

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

The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine is Brc1cncc2c1CCCN2.CC(=O)N1CCCc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC(=O)N1CCCc2c(Br)cncc21.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCS(=O)(=O)N1CCCc2c(Br)cncc21.

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

The InChIKey is JRVODOBCVAQFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2Si.C26H35BN4O3Si.C13H21BrN2O2SSi.2C10H11BrN2O.C8H9BrN2/c1-20(37)35-13-7-8-22-24(17-31-18-28(22)35)21-11-12-27-23(16-21)29(30-32-25-9-5-6-10-26(25)33-30)34-36(27)19-38-14-15-39(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-20(2,3)8-7-19(17,18)16-6-4-5-11-12(14)9-15-10-13(11)16;2*1-7(14)13-4-2-3-8-9(11)5-12-6-10(8)13;9-7-4-10-5-8-6(7)2-1-3-11-8/h5-6,9-12,16-18H,7-8,13-15,19H2,1-4H3,(H,32,33);8-13,16H,14-15,17H2,1-7H3,(H,28,29);9-10H,4-8H2,1-3H3;2*5-6H,2-4H2,1H3;4-5,11H,1-3H2.

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

2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine has a molecular weight of 2129.90 g/mol, XLogP of 21.20, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 159005290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).