2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C19H30BFN2O3Si — CID 163233343

IUPAC2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(F)c3cnn(COCC[Si](C)(C)C)c3c2)OC1(C)C
InChIInChI=1S/C19H30BFN2O3Si/c1-18(2)19(3,4)26-20(25-18)14-10-16(21)15-12-22-23(17(15)11-14)13-24-8-9-27(5,6)7/h10-12H,8-9,13H2,1-7H3
InChIKeyWQQZNYBLGZUZRV-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.79
Rot. Bonds6

About 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163233343) has the molecular formula C19H30BFN2O3Si and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163233343
Molecular FormulaC19H30BFN2O3Si
Molecular Weight392.36 g/mol
Exact Mass392.21
IUPAC Name2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(F)c3cnn(COCC[Si](C)(C)C)c3c2)OC1(C)C
InChIInChI=1S/C19H30BFN2O3Si/c1-18(2)19(3,4)26-20(25-18)14-10-16(21)15-12-22-23(17(15)11-14)13-24-8-9-27(5,6)7/h10-12H,8-9,13H2,1-7H3
InChIKeyWQQZNYBLGZUZRV-UHFFFAOYSA-N
XLogP3.79
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 175411228
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
CID 156678796
trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(2-trimethylsilylethoxymethyl)tetrazol-5-one
CID 131734179
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 163233343) is 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CC1(C)OB(c2cc(F)c3cnn(COCC[Si](C)(C)C)c3c2)OC1(C)C.
What is the InChIKey of 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WQQZNYBLGZUZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BFN2O3Si/c1-18(2)19(3,4)26-20(25-18)14-10-16(21)15-12-22-23(17(15)11-14)13-24-8-9-27(5,6)7/h10-12H,8-9,13H2,1-7H3.
What are the key properties of 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 392.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163233343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).