[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C39H48BBrN6O3Si — CID 160743492

IUPAC[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CCc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C20H24BN3O2.C19H24BrN3OSi/c1-6-16-8-7-9-18(23-16)24-17-12-15(11-10-14(17)13-22-24)21-25-19(2,3)20(4,5)26-21;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/h7-13H,6H2,1-5H3;6-12H,13H2,1-5H3
InChIKeyRVWXVUOKAPQELZ-UHFFFAOYSA-N
MW767.65 g/mol
LogP8.99
Rot. Bonds7

About [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 160743492) has the molecular formula C39H48BBrN6O3Si and a molecular weight of 767.65 g/mol. Its IUPAC name is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID160743492
Molecular FormulaC39H48BBrN6O3Si
Molecular Weight767.65 g/mol
Exact Mass766.28
IUPAC Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CCc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C20H24BN3O2.C19H24BrN3OSi/c1-6-16-8-7-9-18(23-16)24-17-12-15(11-10-14(17)13-22-24)21-25-19(2,3)20(4,5)26-21;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/h7-13H,6H2,1-5H3;6-12H,13H2,1-5H3
InChIKeyRVWXVUOKAPQELZ-UHFFFAOYSA-N
XLogP8.99
TPSA89.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.65
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

US10246456, Example 405
CID 140798234
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-4-fluoro-1H-indazole
CID 140798336
CID 140798455
CID 140798455
2-[6-(6-Bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane
CID 154403001
6-Bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160429045
[6-Bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-fluoroindazol-3-yl]-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 173699700
2-(6-(((Tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 140798260
Tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
CID 140798299
Tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
CID 140798306
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-1H-indazole
CID 140798369
CID 140798387
CID 140798387
6-Bromo-2-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-2H-indazole
CID 140798469

Frequently Asked Questions

What is the IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 160743492) is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.CCc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.
What is the InChIKey of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is RVWXVUOKAPQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BN3O2.C19H24BrN3OSi/c1-6-16-8-7-9-18(23-16)24-17-12-15(11-10-14(17)13-22-24)21-25-19(2,3)20(4,5)26-21;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/h7-13H,6H2,1-5H3;6-12H,13H2,1-5H3.
What are the key properties of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 767.65 g/mol, XLogP of 8.99, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;1-(6-ethyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 160743492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).