About 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90401070) has the molecular formula C28H35FN6O2Si
and a molecular weight of 534.71 g/mol. Its IUPAC name is 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| PubChem CID | 90401070 |
|---|
| Molecular Formula | C28H35FN6O2Si |
|---|
| Molecular Weight | 534.71 g/mol |
|---|
| Exact Mass | 534.26 |
|---|
| IUPAC Name | 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| SMILES | COc1ccnc(F)c1-c1ccc2c(c1)c(-c1ccnc(N3CCNCC3)c1)nn2COCC[Si](C)(C)C |
|---|
| InChI | InChI=1S/C28H35FN6O2Si/c1-36-24-8-10-32-28(29)26(24)20-5-6-23-22(17-20)27(33-35(23)19-37-15-16-38(2,3)4)21-7-9-31-25(18-21)34-13-11-30-12-14-34/h5-10,17-18,30H,11-16,19H2,1-4H3 |
|---|
| InChIKey | LUURUOVDNONEJH-UHFFFAOYSA-N |
|---|
| XLogP | 5.03 |
|---|
| TPSA | 77.33 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 534.71 |
| LogP ≤ 5 | 5.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-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-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90401070) is 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1ccnc(F)c1-c1ccc2c(c1)c(-c1ccnc(N3CCNCC3)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LUURUOVDNONEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O2Si/c1-36-24-8-10-32-28(29)26(24)20-5-6-23-22(17-20)27(33-35(23)19-37-15-16-38(2,3)4)21-7-9-31-25(18-21)34-13-11-30-12-14-34/h5-10,17-18,30H,11-16,19H2,1-4H3.
What are the key properties of 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 534.71 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoro-4-methoxy-3-pyridinyl)-3-(2-piperazin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90401070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).