About ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate
ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate (PubChem CID 153434295) has the molecular formula C25H29FN4O3Si
and a molecular weight of 480.62 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate.
Molecular Properties
| Compound Name | ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate |
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| PubChem CID | 153434295 |
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| Molecular Formula | C25H29FN4O3Si |
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| Molecular Weight | 480.62 g/mol |
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| Exact Mass | 480.20 |
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| IUPAC Name | ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate |
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| SMILES | CCOC(=O)c1c(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C |
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| InChI | InChI=1S/C25H29FN4O3Si/c1-5-33-25(31)24-22(19-8-11-21-27-12-13-29(21)16-19)23(18-6-9-20(26)10-7-18)28-30(24)17-32-14-15-34(2,3)4/h6-13,16H,5,14-15,17H2,1-4H3 |
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| InChIKey | WKHAKGNDHPSVBL-UHFFFAOYSA-N |
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| XLogP | 5.49 |
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| TPSA | 70.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 480.62 |
| LogP ≤ 5 | 5.49 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate (CID 153434295) is ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate is CCOC(=O)c1c(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate?
The InChIKey is WKHAKGNDHPSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3Si/c1-5-33-25(31)24-22(19-8-11-21-27-12-13-29(21)16-19)23(18-6-9-20(26)10-7-18)28-30(24)17-32-14-15-34(2,3)4/h6-13,16H,5,14-15,17H2,1-4H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate?
ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate has a molecular weight of 480.62 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 153434295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).