[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid

C24H41BN2O6Si — CID 174172915

IUPAC[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid
SMILESCC(COCCCOc1ccc2c(c1)c(B(O)O)nn2C1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41BN2O6Si/c1-18(33-34(5,6)24(2,3)4)17-30-13-9-15-31-19-11-12-21-20(16-19)23(25(28)29)26-27(21)22-10-7-8-14-32-22/h11-12,16,18,22,28-29H,7-10,13-15,17H2,1-6H3
InChIKeyAPFKXYIQXIDFSZ-UHFFFAOYSA-N
MW492.50 g/mol
LogP3.61
Rot. Bonds11

About [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid

[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid (PubChem CID 174172915) has the molecular formula C24H41BN2O6Si and a molecular weight of 492.50 g/mol. Its IUPAC name is [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid.

Molecular Properties

Compound Name[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid
PubChem CID174172915
Molecular FormulaC24H41BN2O6Si
Molecular Weight492.50 g/mol
Exact Mass492.28
IUPAC Name[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid
SMILESCC(COCCCOc1ccc2c(c1)c(B(O)O)nn2C1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41BN2O6Si/c1-18(33-34(5,6)24(2,3)4)17-30-13-9-15-31-19-11-12-21-20(16-19)23(25(28)29)26-27(21)22-10-7-8-14-32-22/h11-12,16,18,22,28-29H,7-10,13-15,17H2,1-6H3
InChIKeyAPFKXYIQXIDFSZ-UHFFFAOYSA-N
XLogP3.61
TPSA95.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
5-(2-methoxyethoxy)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90461100
(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol
CID 165127885
2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol
CID 174203689
(2R)-4-[(2S)-2-[6-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypropoxy]-2-methylbutane-1-sulfonic acid
CID 172856499
4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]-2-methylpropoxy]butan-2-ol
CID 174204806
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[6-[(2R)-1-[(3R)-3-phenylmethoxybutoxy]propan-2-yl]oxy-2-pyridinyl]indazol-5-yl]oxysilane
CID 165127072
5-[5-[3-(2-hydroxyethoxy)propoxy]-1-(oxan-2-yl)indazol-3-yl]pyridin-3-ol
CID 165127050
4-[3-[2-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-1,3-thiazol-4-yl]propoxy]butan-2-ol
CID 174209896
2-[3-[[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-1,3-thiazol-2-yl]methoxy]propoxy]ethyl methanesulfonate
CID 165127029
(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol
CID 165126955

Frequently Asked Questions

What is the IUPAC name of [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The IUPAC name of [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid (CID 174172915) is [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid.
What is the SMILES notation for [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The canonical SMILES for [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid is CC(COCCCOc1ccc2c(c1)c(B(O)O)nn2C1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The InChIKey is APFKXYIQXIDFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41BN2O6Si/c1-18(33-34(5,6)24(2,3)4)17-30-13-9-15-31-19-11-12-21-20(16-19)23(25(28)29)26-27(21)22-10-7-8-14-32-22/h11-12,16,18,22,28-29H,7-10,13-15,17H2,1-6H3.
What are the key properties of [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid?
[5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid has a molecular weight of 492.50 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]propoxy]-1-(oxan-2-yl)indazol-3-yl]boronic acid is sourced from PubChem (CID 174172915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).