5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione

C32H18N4O6 — CID 1360531

About 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione

5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 1360531) has the molecular formula C32H18N4O6 and a molecular weight of 554.52 g/mol. Its IUPAC name is 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione
• PubChem CID: 1360531
• Molecular Formula: C32H18N4O6
• Molecular Weight: 554.52 g/mol
• Exact Mass: 554.12
• IUPAC Name: 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione
• SMILES: O=C1c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(c4cccnc4)C5=O)cc3)cc2C(=O)N1c1cccnc1
• InChI: InChI=1S/C32H18N4O6/c37-29-25-11-9-23(15-27(25)31(39)35(29)19-3-1-13-33-17-19)41-21-5-7-22(8-6-21)42-24-10-12-26-28(16-24)32(40)36(30(26)38)20-4-2-14-34-18-20/h1-18H
• InChIKey: GBJOVBXVDWKEHP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 119.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.52
LogP ≤ 5	5.66
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 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione?

The IUPAC name of 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione (CID 1360531) is 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione.

What is the SMILES notation for 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione?

The canonical SMILES for 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione is O=C1c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(c4cccnc4)C5=O)cc3)cc2C(=O)N1c1cccnc1.

What is the InChIKey of 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione?

The InChIKey is GBJOVBXVDWKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O6/c37-29-25-11-9-23(15-27(25)31(39)35(29)19-3-1-13-33-17-19)41-21-5-7-22(8-6-21)42-24-10-12-26-28(16-24)32(40)36(30(26)38)20-4-2-14-34-18-20/h1-18H.

What are the key properties of 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione?

5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 554.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 1360531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).