2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione

C27H17FN4O2 — CID 69423182

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
• PubChem CID: 69423182
• Molecular Formula: C27H17FN4O2
• Molecular Weight: 448.46 g/mol
• Exact Mass: 448.13
• IUPAC Name: 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylisoindole-1,3-dione
• SMILES: Cc1cccc2c1C(=O)N(c1ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c1)C2=O
• 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
• InChIKey: BWMLIIPQNMGCAV-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 67.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
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'}

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).