2-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

C35H50F2N4O4Si2 — CID 171053701

IUPAC2-[[5-ethyl-2-fluoro-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)c(F)cc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F
InChIInChI=1S/C35H50F2N4O4Si2/c1-8-25-21-30(45-24-43-18-20-47(5,6)7)29(36)22-28(25)26-12-13-27-33(35-38-14-15-40(35)23-42-17-19-46(2,3)4)39-41(34(27)32(26)37)31-11-9-10-16-44-31/h12-15,21-22,31H,8-11,16-20,23-24H2,1-7H3
InChIKeyYIPBDWSKUIUSIG-UHFFFAOYSA-N
MW684.98 g/mol
LogP9.11
Rot. Bonds15

About 2-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

2-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 171053701) has the molecular formula C35H50F2N4O4Si2 and a molecular weight of 684.98 g/mol. Its IUPAC name is 2-[[5-ethyl-2-fluoro-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-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
PubChem CID171053701
Molecular FormulaC35H50F2N4O4Si2
Molecular Weight684.98 g/mol
Exact Mass684.33
IUPAC Name2-[[5-ethyl-2-fluoro-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)c(F)cc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F
InChIInChI=1S/C35H50F2N4O4Si2/c1-8-25-21-30(45-24-43-18-20-47(5,6)7)29(36)22-28(25)26-12-13-27-33(35-38-14-15-40(35)23-42-17-19-46(2,3)4)39-41(34(27)32(26)37)31-11-9-10-16-44-31/h12-15,21-22,31H,8-11,16-20,23-24H2,1-7H3
InChIKeyYIPBDWSKUIUSIG-UHFFFAOYSA-N
XLogP9.11
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.98
LogP ≤ 59.11
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-[[5-ethyl-2-fluoro-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-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (CID 171053701) is 2-[[5-ethyl-2-fluoro-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-[[5-ethyl-2-fluoro-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-[[5-ethyl-2-fluoro-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)c(F)cc1-c1ccc2c(-c3nccn3COCC[Si](C)(C)C)nn(C3CCCCO3)c2c1F.
What is the InChIKey of 2-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is YIPBDWSKUIUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50F2N4O4Si2/c1-8-25-21-30(45-24-43-18-20-47(5,6)7)29(36)22-28(25)26-12-13-27-33(35-38-14-15-40(35)23-42-17-19-46(2,3)4)39-41(34(27)32(26)37)31-11-9-10-16-44-31/h12-15,21-22,31H,8-11,16-20,23-24H2,1-7H3.
What are the key properties of 2-[[5-ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
2-[[5-ethyl-2-fluoro-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 684.98 g/mol, XLogP of 9.11, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-2-fluoro-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 171053701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).