About 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione
2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione (PubChem CID 69423182) has the molecular formula C27H17FN4O2
and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione.
Molecular Properties
| Compound Name | 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione |
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| PubChem CID | 69423182 |
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| Molecular Formula | C27H17FN4O2 |
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| Molecular Weight | 448.46 g/mol |
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| Exact Mass | 448.13 |
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| IUPAC Name | 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione |
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| SMILES | Cc1cccc2c1C(=O)N(c1ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c1)C2=O |
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| InChI | InChI=1S/C27H17FN4O2/c1-16-3-2-4-21-23(16)27(34)32(26(21)33)20-11-14-31-22(15-20)24(17-9-12-29-13-10-17)25(30-31)18-5-7-19(28)8-6-18/h2-15H,1H3 |
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| InChIKey | BWMLIIPQNMGCAV-UHFFFAOYSA-N |
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| XLogP | 5.31 |
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| TPSA | 67.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 3 |
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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 | 448.46 |
| LogP ≤ 5 | 5.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione (CID 69423182) is 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c1)C2=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione?
The InChIKey is BWMLIIPQNMGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4O2/c1-16-3-2-4-21-23(16)27(34)32(26(21)33)20-11-14-31-22(15-20)24(17-9-12-29-13-10-17)25(30-31)18-5-7-19(28)8-6-18/h2-15H,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione?
2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione has a molecular weight of 448.46 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione is sourced from PubChem (CID 69423182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).