2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane

C21H33BrN2O2Si — CID 171613353

IUPAC2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCc1cc2c(cnn2C2CCCCO2)c(Br)c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33BrN2O2Si/c1-15-13-18-17(14-23-24(18)19-9-7-8-11-25-19)20(22)16(15)10-12-26-27(5,6)21(2,3)4/h13-14,19H,7-12H2,1-6H3
InChIKeyWHYWVADTBRZQSA-UHFFFAOYSA-N
MW453.50 g/mol
LogP6.37
Rot. Bonds5

About 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane

2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 171613353) has the molecular formula C21H33BrN2O2Si and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID171613353
Molecular FormulaC21H33BrN2O2Si
Molecular Weight453.50 g/mol
Exact Mass452.15
IUPAC Name2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCc1cc2c(cnn2C2CCCCO2)c(Br)c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33BrN2O2Si/c1-15-13-18-17(14-23-24(18)19-9-7-8-11-25-19)20(22)16(15)10-12-26-27(5,6)21(2,3)4/h13-14,19H,7-12H2,1-6H3
InChIKeyWHYWVADTBRZQSA-UHFFFAOYSA-N
XLogP6.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane (CID 171613353) is 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane is Cc1cc2c(cnn2C2CCCCO2)c(Br)c1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is WHYWVADTBRZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33BrN2O2Si/c1-15-13-18-17(14-23-24(18)19-9-7-8-11-25-19)20(22)16(15)10-12-26-27(5,6)21(2,3)4/h13-14,19H,7-12H2,1-6H3.
What are the key properties of 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane?
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 453.50 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 171613353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).