About (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
(4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18269151) has the molecular formula C24H22N4O4
and a molecular weight of 430.46 g/mol. Its IUPAC name is (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
Molecular Properties
| Compound Name | (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate |
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| PubChem CID | 18269151 |
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| Molecular Formula | C24H22N4O4 |
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| Molecular Weight | 430.46 g/mol |
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| Exact Mass | 430.16 |
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| IUPAC Name | (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate |
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| SMILES | COc1cc(C#N)ccc1OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C |
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| InChI | InChI=1S/C24H22N4O4/c1-13(2)28-23-19(12-26-28)18(10-20(27-23)17-8-14(3)31-15(17)4)24(29)32-21-7-6-16(11-25)9-22(21)30-5/h6-10,12-13H,1-5H3 |
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| InChIKey | CODXQTXEGUUYIY-UHFFFAOYSA-N |
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| XLogP | 4.99 |
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| TPSA | 103.17 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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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 | 430.46 |
| LogP ≤ 5 | 4.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 18269151) is (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COc1cc(C#N)ccc1OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C.
What is the InChIKey of (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CODXQTXEGUUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-13(2)28-23-19(12-26-28)18(10-20(27-23)17-8-14(3)31-15(17)4)24(29)32-21-7-6-16(11-25)9-22(21)30-5/h6-10,12-13H,1-5H3.
What are the key properties of (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18269151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).