[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane

C18H27BrN2O2Si — CID 169448982

IUPAC[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(Br)nn2C1CCCCO1
InChIInChI=1S/C18H27BrN2O2Si/c1-18(2,3)24(4,5)23-13-9-10-15-14(12-13)17(19)20-21(15)16-8-6-7-11-22-16/h9-10,12,16H,6-8,11H2,1-5H3
InChIKeySZQUGTUEJSURRM-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.88
Rot. Bonds3

About [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane

[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 169448982) has the molecular formula C18H27BrN2O2Si and a molecular weight of 411.42 g/mol. Its IUPAC name is [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID169448982
Molecular FormulaC18H27BrN2O2Si
Molecular Weight411.42 g/mol
Exact Mass410.10
IUPAC Name[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(Br)nn2C1CCCCO1
InChIInChI=1S/C18H27BrN2O2Si/c1-18(2,3)24(4,5)23-13-9-10-15-14(12-13)17(19)20-21(15)16-8-6-7-11-22-16/h9-10,12,16H,6-8,11H2,1-5H3
InChIKeySZQUGTUEJSURRM-UHFFFAOYSA-N
XLogP5.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
tert-butyl-dimethyl-[3-(2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-1-(oxan-2-yl)indazol-5-yl]oxysilane
CID 165127912
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
tert-butyl-[3-[6-(3-methoxyazetidin-1-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(oxan-2-yl)indazol-5-yl]oxy-dimethylsilane
CID 165127683
ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate
CID 167524232
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
3-[4-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]butoxy]propane-1-sulfonic acid
CID 172858141
(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
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
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

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane (CID 169448982) is [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(Br)nn2C1CCCCO1.
What is the InChIKey of [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SZQUGTUEJSURRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2Si/c1-18(2,3)24(4,5)23-13-9-10-15-14(12-13)17(19)20-21(15)16-8-6-7-11-22-16/h9-10,12,16H,6-8,11H2,1-5H3.
What are the key properties of [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane?
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 411.42 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 169448982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).