2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C44H70FN5O4Si3 — CID 156776419

IUPAC2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CC5CCC4CC5)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C44H70FN5O4Si3/c1-11-34-25-42(54-32-53-20-23-57(8,9)10)40(45)26-39(34)35-14-17-38-41(24-35)50(31-52-19-22-56(5,6)7)47-43(38)44-46-36(28-48-27-33-12-15-37(48)16-13-33)29-49(44)30-51-18-21-55(2,3)4/h14,17,24-26,29,33,37H,11-13,15-16,18-23,27-28,30-32H2,1-10H3
InChIKeyOQHIRKQMRYHGSW-UHFFFAOYSA-N
MW836.33 g/mol
LogP10.96
Rot. Bonds21

About 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156776419) has the molecular formula C44H70FN5O4Si3 and a molecular weight of 836.33 g/mol. Its IUPAC name is 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156776419
Molecular FormulaC44H70FN5O4Si3
Molecular Weight836.33 g/mol
Exact Mass835.47
IUPAC Name2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CC5CCC4CC5)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C44H70FN5O4Si3/c1-11-34-25-42(54-32-53-20-23-57(8,9)10)40(45)26-39(34)35-14-17-38-41(24-35)50(31-52-19-22-56(5,6)7)47-43(38)44-46-36(28-48-27-33-12-15-37(48)16-13-33)29-49(44)30-51-18-21-55(2,3)4/h14,17,24-26,29,33,37H,11-13,15-16,18-23,27-28,30-32H2,1-10H3
InChIKeyOQHIRKQMRYHGSW-UHFFFAOYSA-N
XLogP10.96
TPSA75.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.33
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

Analyze 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 156776419) is 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CC5CCC4CC5)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OQHIRKQMRYHGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H70FN5O4Si3/c1-11-34-25-42(54-32-53-20-23-57(8,9)10)40(45)26-39(34)35-14-17-38-41(24-35)50(31-52-19-22-56(5,6)7)47-43(38)44-46-36(28-48-27-33-12-15-37(48)16-13-33)29-49(44)30-51-18-21-55(2,3)4/h14,17,24-26,29,33,37H,11-13,15-16,18-23,27-28,30-32H2,1-10H3.
What are the key properties of 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 836.33 g/mol, XLogP of 10.96, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156776419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).