1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C64H100B3BrN6O12Si2 — CID 157392172

About 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157392172) has the molecular formula C64H100B3BrN6O12Si2 and a molecular weight of 1314.05 g/mol. Its IUPAC name is 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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: 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157392172
• Molecular Formula: C64H100B3BrN6O12Si2
• Molecular Weight: 1314.05 g/mol
• Exact Mass: 1312.64
• IUPAC Name: 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC(C)(O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
• InChI: InChI=1S/C29H44BN3O5Si.C23H32BrN3O3Si.C12H24B2O4/c1-26(2,3)39(10,11)36-18-21-13-12-14-25(32-21)33-23-15-20(30-37-28(6,7)29(8,9)38-30)16-24(22(23)17-31-33)35-19-27(4,5)34;1-22(2,3)31(6,7)30-14-17-9-8-10-21(26-17)27-19-11-16(24)12-20(18(19)13-25-27)29-15-23(4,5)28;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-17,34H,18-19H2,1-11H3;8-13,28H,14-15H2,1-7H3;1-8H3
• InChIKey: BMDFTXZFCNHATR-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 194.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1314.05
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157392172) is 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC(C)(O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.

What is the InChIKey of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BMDFTXZFCNHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44BN3O5Si.C23H32BrN3O3Si.C12H24B2O4/c1-26(2,3)39(10,11)36-18-21-13-12-14-25(32-21)33-23-15-20(30-37-28(6,7)29(8,9)38-30)16-24(22(23)17-31-33)35-19-27(4,5)34;1-22(2,3)31(6,7)30-14-17-9-8-10-21(26-17)27-19-11-16(24)12-20(18(19)13-25-27)29-15-23(4,5)28;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-17,34H,18-19H2,1-11H3;8-13,28H,14-15H2,1-7H3;1-8H3.

What are the key properties of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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 1314.05 g/mol, XLogP of 13.49, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;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 157392172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).