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

C100H144B4Br2N12O12Si4 — CID 161143426

IUPAC[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)nc3c2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
InChIInChI=1S/2C25H36BN3O3Si.2C19H24BrN3OSi.C12H24B2O4/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(27-20)29-16-18-13-14-19(15-21(18)28-29)26-31-24(4,5)25(6,7)32-26;1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26;1-19(2,3)25(4,5)24-13-16-7-6-8-18(21-16)23-12-14-9-10-15(20)11-17(14)22-23;1-19(2,3)25(4,5)24-13-16-7-6-8-18(22-16)23-17-11-15(20)10-9-14(17)12-21-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*10-16H,17H2,1-9H3;2*6-12H,13H2,1-5H3;1-8H3
InChIKeyUNSZVNFFDCGXQO-UHFFFAOYSA-N
MW2021.72 g/mol
LogP24.14
Rot. Bonds19

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

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 161143426) has the molecular formula C100H144B4Br2N12O12Si4 and a molecular weight of 2021.72 g/mol. Its IUPAC name is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID161143426
Molecular FormulaC100H144B4Br2N12O12Si4
Molecular Weight2021.72 g/mol
Exact Mass2018.88
IUPAC Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)nc3c2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
InChIInChI=1S/2C25H36BN3O3Si.2C19H24BrN3OSi.C12H24B2O4/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(27-20)29-16-18-13-14-19(15-21(18)28-29)26-31-24(4,5)25(6,7)32-26;1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26;1-19(2,3)25(4,5)24-13-16-7-6-8-18(21-16)23-12-14-9-10-15(20)11-17(14)22-23;1-19(2,3)25(4,5)24-13-16-7-6-8-18(22-16)23-17-11-15(20)10-9-14(17)12-21-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*10-16H,17H2,1-9H3;2*6-12H,13H2,1-5H3;1-8H3
InChIKeyUNSZVNFFDCGXQO-UHFFFAOYSA-N
XLogP24.14
TPSA233.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.72
LogP ≤ 524.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161143426) is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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)OCc1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)nc3c2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C.
What is the InChIKey of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 UNSZVNFFDCGXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H36BN3O3Si.2C19H24BrN3OSi.C12H24B2O4/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(27-20)29-16-18-13-14-19(15-21(18)28-29)26-31-24(4,5)25(6,7)32-26;1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26;1-19(2,3)25(4,5)24-13-16-7-6-8-18(21-16)23-12-14-9-10-15(20)11-17(14)22-23;1-19(2,3)25(4,5)24-13-16-7-6-8-18(22-16)23-17-11-15(20)10-9-14(17)12-21-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*10-16H,17H2,1-9H3;2*6-12H,13H2,1-5H3;1-8H3.
What are the key properties of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 2021.72 g/mol, XLogP of 24.14, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]-2-pyridinyl]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 161143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).