About 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 173104688) has the molecular formula C33H38FN3OSi
and a molecular weight of 539.77 g/mol. Its IUPAC name is 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| PubChem CID | 173104688 |
|---|
| Molecular Formula | C33H38FN3OSi |
|---|
| Molecular Weight | 539.77 g/mol |
|---|
| Exact Mass | 539.28 |
|---|
| IUPAC Name | 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane |
|---|
| SMILES | CN1CCCCC1c1ccc(-c2ccc3c(c2)c(C#Cc2cccc(F)c2)nn3COCC[Si](C)(C)C)cc1 |
|---|
| InChI | InChI=1S/C33H38FN3OSi/c1-36-19-6-5-10-32(36)27-14-12-26(13-15-27)28-16-18-33-30(23-28)31(17-11-25-8-7-9-29(34)22-25)35-37(33)24-38-20-21-39(2,3)4/h7-9,12-16,18,22-23,32H,5-6,10,19-21,24H2,1-4H3 |
|---|
| InChIKey | VZNXWOQOUZOMJO-UHFFFAOYSA-N |
|---|
| XLogP | 7.71 |
|---|
| TPSA | 30.29 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 539.77 |
| LogP ≤ 5 | 7.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]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-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 173104688) is 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is CN1CCCCC1c1ccc(-c2ccc3c(c2)c(C#Cc2cccc(F)c2)nn3COCC[Si](C)(C)C)cc1.
What is the InChIKey of 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VZNXWOQOUZOMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN3OSi/c1-36-19-6-5-10-32(36)27-14-12-26(13-15-27)28-16-18-33-30(23-28)31(17-11-25-8-7-9-29(34)22-25)35-37(33)24-38-20-21-39(2,3)4/h7-9,12-16,18,22-23,32H,5-6,10,19-21,24H2,1-4H3.
What are the key properties of 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 539.77 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(3-fluorophenyl)ethynyl]-5-[4-(1-methylpiperidin-2-yl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 173104688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).