2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane

C25H26F2N2OSi — CID 22352500

IUPAC2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21
InChIInChI=1S/C25H26F2N2OSi/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18/h4-13,16H,14-15,17H2,1-3H3
InChIKeyCICZMELQMAXFHU-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.96
Rot. Bonds7

About 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22352500) has the molecular formula C25H26F2N2OSi and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22352500
Molecular FormulaC25H26F2N2OSi
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21
InChIInChI=1S/C25H26F2N2OSi/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18/h4-13,16H,14-15,17H2,1-3H3
InChIKeyCICZMELQMAXFHU-UHFFFAOYSA-N
XLogP6.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22352500) is 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21.
What is the InChIKey of 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CICZMELQMAXFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2OSi/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 436.58 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22352500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).