2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C20H22F3IN2OSi — CID 171590383

IUPAC2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c(I)cc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C20H22F3IN2OSi/c1-28(2,3)9-8-27-13-26-19-11-15(10-18(24)17(19)12-25-26)14-4-6-16(7-5-14)20(21,22)23/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyMSPTVNISNXUDED-UHFFFAOYSA-N
MW518.39 g/mol
LogP6.64
Rot. Bonds6

About 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171590383) has the molecular formula C20H22F3IN2OSi and a molecular weight of 518.39 g/mol. Its IUPAC name is 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171590383
Molecular FormulaC20H22F3IN2OSi
Molecular Weight518.39 g/mol
Exact Mass518.05
IUPAC Name2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c(I)cc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C20H22F3IN2OSi/c1-28(2,3)9-8-27-13-26-19-11-15(10-18(24)17(19)12-25-26)14-4-6-16(7-5-14)20(21,22)23/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyMSPTVNISNXUDED-UHFFFAOYSA-N
XLogP6.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.39
LogP ≤ 56.64
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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole
CID 76846113
6-[2-(2,6-Difluorophenyl)ethynyl]-1-methylindazole
CID 137366910
2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methylindazol-6-yl)methyl]aniline
CID 177700579
Trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 42612115
Trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 102286110
Trimethyl-[2-[[5-phenyl-4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135065630
Trimethyl-[2-[[4-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135072332
2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazole
CID 11680369
1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 11687440
1H-Indazole, 6-iodo-3-[(1E)-2-phenylethenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 21877255
6-iodo-3-((E)-2-pyridin-2-yl-vinyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 21877280
(Z)-1-(2,4-difluorophenyl)-N-ethoxy-1-[1-(2-methylpropyl)indazol-5-yl]methanimine
CID 21894712

Frequently Asked Questions

What is the IUPAC name of 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171590383) is 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2c(I)cc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MSPTVNISNXUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3IN2OSi/c1-28(2,3)9-8-27-13-26-19-11-15(10-18(24)17(19)12-25-26)14-4-6-16(7-5-14)20(21,22)23/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 518.39 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171590383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).