About N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (PubChem CID 153434319) has the molecular formula C23H27FN6O2Si
and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.
Molecular Properties
| Compound Name | N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide |
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| PubChem CID | 153434319 |
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| Molecular Formula | C23H27FN6O2Si |
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| Molecular Weight | 466.59 g/mol |
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| Exact Mass | 466.19 |
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| IUPAC Name | N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide |
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| SMILES | CC(=O)Nc1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccc(F)cc3)nn12 |
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| InChI | InChI=1S/C23H27FN6O2Si/c1-16(31)26-22-13-25-21-10-9-20(27-30(21)22)19-14-29(15-32-11-12-33(2,3)4)28-23(19)17-5-7-18(24)8-6-17/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31) |
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| InChIKey | RNVSPIXEMYZHAJ-UHFFFAOYSA-N |
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| XLogP | 4.67 |
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| TPSA | 86.34 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 466.59 |
| LogP ≤ 5 | 4.67 |
| H-Bond Donors ≤ 5 | 1 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (CID 153434319) is N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is CC(=O)Nc1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The InChIKey is RNVSPIXEMYZHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2Si/c1-16(31)26-22-13-25-21-10-9-20(27-30(21)22)19-14-29(15-32-11-12-33(2,3)4)28-23(19)17-5-7-18(24)8-6-17/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is sourced from PubChem (CID 153434319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).