About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 67123990) has the molecular formula C27H36FN7O4Si
and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one.
Molecular Properties
| Compound Name | 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one |
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| PubChem CID | 67123990 |
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| Molecular Formula | C27H36FN7O4Si |
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| Molecular Weight | 569.71 g/mol |
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| Exact Mass | 569.26 |
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| IUPAC Name | 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one |
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| SMILES | C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c21 |
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| InChI | InChI=1S/C27H36FN7O4Si/c1-40(2,3)15-14-39-18-34-23-25(32-8-12-38-13-9-32)30-24(21-16-29-22-5-4-19(28)17-33(21)22)31-26(23)35(27(34)36)20-6-10-37-11-7-20/h4-5,16-17,20H,6-15,18H2,1-3H3 |
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| InChIKey | KEXRRNIZXXGHCG-UHFFFAOYSA-N |
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| XLogP | 3.55 |
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| TPSA | 100.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 569.71 |
| LogP ≤ 5 | 3.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
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 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 67123990) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one is C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is KEXRRNIZXXGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN7O4Si/c1-40(2,3)15-14-39-18-34-23-25(32-8-12-38-13-9-32)30-24(21-16-29-22-5-4-19(28)17-33(21)22)31-26(23)35(27(34)36)20-6-10-37-11-7-20/h4-5,16-17,20H,6-15,18H2,1-3H3.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one has a molecular weight of 569.71 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 67123990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).