4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione

C26H24N6O5 — CID 71823930

About 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione

4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 71823930) has the molecular formula C26H24N6O5 and a molecular weight of 500.52 g/mol. Its IUPAC name is 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

• Compound Name: 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
• PubChem CID: 71823930
• Molecular Formula: C26H24N6O5
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.18
• IUPAC Name: 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
• SMILES: O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
• InChI: InChI=1S/C26H24N6O5/c33-21-12-11-20(26-27-25(29-37-26)19-9-5-2-6-10-19)28-32(21)17-22(34)30-15-23(35)31(24(36)16-30)14-13-18-7-3-1-4-8-18/h1-10H,11-17H2
• InChIKey: JVZHQKVRISYKSG-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 129.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?

The IUPAC name of 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione (CID 71823930) is 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione.

What is the SMILES notation for 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?

The canonical SMILES for 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione is O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1.

What is the InChIKey of 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?

The InChIKey is JVZHQKVRISYKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O5/c33-21-12-11-20(26-27-25(29-37-26)19-9-5-2-6-10-19)28-32(21)17-22(34)30-15-23(35)31(24(36)16-30)14-13-18-7-3-1-4-8-18/h1-10H,11-17H2.

What are the key properties of 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?

4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 500.52 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 71823930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).