About [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane
[3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 156679001) has the molecular formula C29H43BrN2O2Si
and a molecular weight of 559.67 g/mol. Its IUPAC name is [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane.
Molecular Properties
| Compound Name | [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane |
|---|
| PubChem CID | 156679001 |
|---|
| Molecular Formula | C29H43BrN2O2Si |
|---|
| Molecular Weight | 559.67 g/mol |
|---|
| Exact Mass | 558.23 |
|---|
| IUPAC Name | [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane |
|---|
| SMILES | CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](C)(C)C(C)(C)C)c2cc(Br)ccc21 |
|---|
| InChI | InChI=1S/C29H43BrN2O2Si/c1-11-32-25-15-14-21(30)17-23(25)24(18-29(6,7)19-34-35(9,10)28(3,4)5)27(32)22-13-12-16-31-26(22)20(2)33-8/h12-17,20H,11,18-19H2,1-10H3/t20-/m0/s1 |
|---|
| InChIKey | SWYGHFGJWZMYPU-FQEVSTJZSA-N |
|---|
| XLogP | 8.78 |
|---|
| TPSA | 36.28 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 559.67 |
| LogP ≤ 5 | 8.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane 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 [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane (CID 156679001) is [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane is CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](C)(C)C(C)(C)C)c2cc(Br)ccc21.
What is the InChIKey of [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is SWYGHFGJWZMYPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H43BrN2O2Si/c1-11-32-25-15-14-21(30)17-23(25)24(18-29(6,7)19-34-35(9,10)28(3,4)5)27(32)22-13-12-16-31-26(22)20(2)33-8/h12-17,20H,11,18-19H2,1-10H3/t20-/m0/s1.
What are the key properties of [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane?
[3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 559.67 g/mol, XLogP of 8.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-bromo-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 156679001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).