2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

C35H51FN4O4Si2 — CID 171053722

IUPAC2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F
InChIInChI=1S/C35H51FN4O4Si2/c1-8-26-23-27(44-25-42-20-22-46(5,6)7)12-13-28(26)29-14-15-30-33(35-37-16-17-39(35)24-41-19-21-45(2,3)4)38-40(34(30)32(29)36)31-11-9-10-18-43-31/h12-17,23,31H,8-11,18-22,24-25H2,1-7H3
InChIKeySWLATABXJBCCEP-UHFFFAOYSA-N
MW666.99 g/mol
LogP8.97
Rot. Bonds15

About 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 171053722) has the molecular formula C35H51FN4O4Si2 and a molecular weight of 666.99 g/mol. Its IUPAC name is 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
PubChem CID171053722
Molecular FormulaC35H51FN4O4Si2
Molecular Weight666.99 g/mol
Exact Mass666.34
IUPAC Name2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F
InChIInChI=1S/C35H51FN4O4Si2/c1-8-26-23-27(44-25-42-20-22-46(5,6)7)12-13-28(26)29-14-15-30-33(35-37-16-17-39(35)24-41-19-21-45(2,3)4)38-40(34(30)32(29)36)31-11-9-10-18-43-31/h12-17,23,31H,8-11,18-22,24-25H2,1-7H3
InChIKeySWLATABXJBCCEP-UHFFFAOYSA-N
XLogP8.97
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.99
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (CID 171053722) is 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F.
What is the InChIKey of 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is SWLATABXJBCCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51FN4O4Si2/c1-8-26-23-27(44-25-42-20-22-46(5,6)7)12-13-28(26)29-14-15-30-33(35-37-16-17-39(35)24-41-19-21-45(2,3)4)38-40(34(30)32(29)36)31-11-9-10-18-43-31/h12-17,23,31H,8-11,18-22,24-25H2,1-7H3.
What are the key properties of 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 666.99 g/mol, XLogP of 8.97, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171053722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).