4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C123H140B3BrIN19O13Si3 — CID 158795794

About 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158795794) has the molecular formula C123H140B3BrIN19O13Si3 and a molecular weight of 2416.09 g/mol. Its IUPAC name is 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158795794
• Molecular Formula: C123H140B3BrIN19O13Si3
• Molecular Weight: 2416.09 g/mol
• Exact Mass: 2413.87
• IUPAC Name: 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cncc2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(-c2nc4c(CO)cccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21.C[Si](C)(C)CCOCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(I)ccc21.OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12
• InChI: InChI=1S/C30H31N5O2Si.C27H37BN4O4Si.C24H17N5O.C21H25IN4O2Si.C12H24B2O4.C9H6BrN/c1-38(2,3)14-13-37-19-35-27-12-11-20(25-17-31-16-21-7-4-5-9-23(21)25)15-24(27)29(34-35)30-32-26-10-6-8-22(18-36)28(26)33-30;1-26(2)27(3,4)36-28(35-26)19-11-12-22-20(15-19)24(31-32(22)17-34-13-14-37(5,6)7)25-29-21-10-8-9-18(16-33)23(21)30-25;30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19;1-29(2,3)10-9-28-13-26-18-8-7-15(22)11-16(18)20(25-26)21-23-17-6-4-5-14(12-27)19(17)24-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-9-6-11-5-7-3-1-2-4-8(7)9/h4-12,15-17,36H,13-14,18-19H2,1-3H3,(H,32,33);8-12,15,33H,13-14,16-17H2,1-7H3,(H,29,30);1-12,30H,13H2,(H,26,27)(H,28,29);4-8,11,27H,9-10,12-13H2,1-3H3,(H,23,24);1-8H3;1-6H
• InChIKey: ISVQXXFDPIMJRN-UHFFFAOYSA-N
• XLogP: 26.33
• TPSA: 399.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.09
LogP ≤ 5	26.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158795794) is 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cncc2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(-c2nc4c(CO)cccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21.C[Si](C)(C)CCOCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(I)ccc21.OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.

What is the InChIKey of 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is ISVQXXFDPIMJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2Si.C27H37BN4O4Si.C24H17N5O.C21H25IN4O2Si.C12H24B2O4.C9H6BrN/c1-38(2,3)14-13-37-19-35-27-12-11-20(25-17-31-16-21-7-4-5-9-23(21)25)15-24(27)29(34-35)30-32-26-10-6-8-22(18-36)28(26)33-30;1-26(2)27(3,4)36-28(35-26)19-11-12-22-20(15-19)24(31-32(22)17-34-13-14-37(5,6)7)25-29-21-10-8-9-18(16-33)23(21)30-25;30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19;1-29(2,3)10-9-28-13-26-18-8-7-15(22)11-16(18)20(25-26)21-23-17-6-4-5-14(12-27)19(17)24-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-9-6-11-5-7-3-1-2-4-8(7)9/h4-12,15-17,36H,13-14,18-19H2,1-3H3,(H,32,33);8-12,15,33H,13-14,16-17H2,1-7H3,(H,29,30);1-12,30H,13H2,(H,26,27)(H,28,29);4-8,11,27H,9-10,12-13H2,1-3H3,(H,23,24);1-8H3;1-6H.

What are the key properties of 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2416.09 g/mol, XLogP of 26.33, 27 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromoisoquinoline;[2-[5-iodo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;[2-[5-isoquinolin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158795794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).