[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C54H82B3BrN8O8Si2 — CID 159509802

About [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159509802) has the molecular formula C54H82B3BrN8O8Si2 and a molecular weight of 1139.81 g/mol. Its IUPAC name is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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: [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159509802
• Molecular Formula: C54H82B3BrN8O8Si2
• Molecular Weight: 1139.81 g/mol
• Exact Mass: 1138.53
• IUPAC Name: [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cncc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
• InChI: InChI=1S/C24H35BN4O3Si.C18H23BrN4OSi.C12H24B2O4/c1-22(2,3)33(8,9)30-16-19-14-26-15-21(28-19)29-20-12-18(11-10-17(20)13-27-29)25-31-23(4,5)24(6,7)32-25;1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-15H,16H2,1-9H3;6-11H,12H2,1-5H3;1-8H3
• InChIKey: MALJZXXTMFNCQT-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 161.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1139.81
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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 [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159509802) is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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 [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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 [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cncc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C.

What is the InChIKey of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is MALJZXXTMFNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BN4O3Si.C18H23BrN4OSi.C12H24B2O4/c1-22(2,3)33(8,9)30-16-19-14-26-15-21(28-19)29-20-12-18(11-10-17(20)13-27-29)25-31-23(4,5)24(6,7)32-25;1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-15H,16H2,1-9H3;6-11H,12H2,1-5H3;1-8H3.

What are the key properties of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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 1139.81 g/mol, XLogP of 11.99, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrazin-2-yl]methoxy]silane;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 159509802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).