2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane

C22H28FIN2OSi — CID 167682988

IUPAC2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(C)c(F)cc1-c1ccc2c(I)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C22H28FIN2OSi/c1-6-16-11-15(2)20(23)13-19(16)17-7-8-18-21(12-17)26(25-22(18)24)14-27-9-10-28(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyVMIPZOVAYTXEID-UHFFFAOYSA-N
MW510.47 g/mol
LogP6.63
Rot. Bonds7

About 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 167682988) has the molecular formula C22H28FIN2OSi and a molecular weight of 510.47 g/mol. Its IUPAC name is 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID167682988
Molecular FormulaC22H28FIN2OSi
Molecular Weight510.47 g/mol
Exact Mass510.10
IUPAC Name2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(C)c(F)cc1-c1ccc2c(I)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C22H28FIN2OSi/c1-6-16-11-15(2)20(23)13-19(16)17-7-8-18-21(12-17)26(25-22(18)24)14-27-9-10-28(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyVMIPZOVAYTXEID-UHFFFAOYSA-N
XLogP6.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 56.63
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(Ethoxymethyl)-3-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g]indazole
CID 134942362
1H-Indazole, 6-iodo-3-[(1E)-2-phenylethenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 21877255
3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 22494882
6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole-3-amine
CID 9976768
Trimethyl-[2-[[3-phenyl-5-[2-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl]silane
CID 22352448
2-[[5-(2,6-Difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22352500
1-{[3-(4-fluorophenyl)-5-amino(1H-indazoly)]methoxy}-2-methoxyethane
CID 22479706
3-(4-Fluorophenyl)-1-(1-methoxyethoxymethyl)indazole
CID 22480028
6-Ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole
CID 59494208
5-(2,6-difluoro-phenyl)-3-iodo-1-(tetrahydro-pyran-2-yl)-1H-indazole
CID 67959753
3-[(3-fluorophenyl)ethynyl]-5-nitro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-indazole
CID 68672353
3-[2-(3-Fluorophenyl)ethynyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 68672808

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 167682988) is 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cc(C)c(F)cc1-c1ccc2c(I)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VMIPZOVAYTXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FIN2OSi/c1-6-16-11-15(2)20(23)13-19(16)17-7-8-18-21(12-17)26(25-22(18)24)14-27-9-10-28(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3.
What are the key properties of 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 510.47 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167682988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).