About 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 21081639) has the molecular formula C24H25FN4O4Si
and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| PubChem CID | 21081639 |
|---|
| Molecular Formula | C24H25FN4O4Si |
|---|
| Molecular Weight | 480.57 g/mol |
|---|
| Exact Mass | 480.16 |
|---|
| IUPAC Name | 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| SMILES | C[Si](C)(C)CCOCn1cc(-c2ccncc2)c2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21 |
|---|
| InChI | InChI=1S/C24H25FN4O4Si/c1-34(2,3)13-12-32-16-28-15-19(17-6-9-26-10-7-17)23-22(8-11-27-24(23)28)33-21-5-4-18(29(30)31)14-20(21)25/h4-11,14-15H,12-13,16H2,1-3H3 |
|---|
| InChIKey | JZLCEURDKRJNGS-UHFFFAOYSA-N |
|---|
| XLogP | 6.25 |
|---|
| TPSA | 92.31 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 480.57 |
| LogP ≤ 5 | 6.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-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-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 21081639) is 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccncc2)c2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21.
What is the InChIKey of 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JZLCEURDKRJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4Si/c1-34(2,3)13-12-32-16-28-15-19(17-6-9-26-10-7-17)23-22(8-11-27-24(23)28)33-21-5-4-18(29(30)31)14-20(21)25/h4-11,14-15H,12-13,16H2,1-3H3.
What are the key properties of 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 480.57 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoro-4-nitrophenoxy)-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 21081639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).