5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde

C20H31BN2O4Si — CID 175411228

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
SMILESCC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2C=O)OC1(C)C
InChIInChI=1S/C20H31BN2O4Si/c1-19(2)20(3,4)27-21(26-19)17-10-15-12-22-23(18(15)11-16(17)13-24)14-25-8-9-28(5,6)7/h10-13H,8-9,14H2,1-7H3
InChIKeyJEJWNADODMZTRW-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.46
Rot. Bonds7

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde (PubChem CID 175411228) has the molecular formula C20H31BN2O4Si and a molecular weight of 402.38 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
PubChem CID175411228
Molecular FormulaC20H31BN2O4Si
Molecular Weight402.38 g/mol
Exact Mass402.21
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
SMILESCC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2C=O)OC1(C)C
InChIInChI=1S/C20H31BN2O4Si/c1-19(2)20(3,4)27-21(26-19)17-10-15-12-22-23(18(15)11-16(17)13-24)14-25-8-9-28(5,6)7/h10-13H,8-9,14H2,1-7H3
InChIKeyJEJWNADODMZTRW-UHFFFAOYSA-N
XLogP3.46
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(2-trimethylsilylethoxymethyl)tetrazol-5-one
CID 131734179

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde (CID 175411228) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde is CC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2C=O)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The InChIKey is JEJWNADODMZTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BN2O4Si/c1-19(2)20(3,4)27-21(26-19)17-10-15-12-22-23(18(15)11-16(17)13-24)14-25-8-9-28(5,6)7/h10-13H,8-9,14H2,1-7H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde has a molecular weight of 402.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde is sourced from PubChem (CID 175411228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).