2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C38H38N6O9 — CID 154606159

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 154606159) has the molecular formula C38H38N6O9 and a molecular weight of 722.75 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 154606159
• Molecular Formula: C38H38N6O9
• Molecular Weight: 722.75 g/mol
• Exact Mass: 722.27
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCn4cc(-c5ccc6c(c5)CC/C6=N\O)c(-c5ccncc5)n4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C38H38N6O9/c45-33-9-8-31(36(46)40-33)44-37(47)28-2-1-3-32(34(28)38(44)48)53-21-20-52-19-18-51-17-16-50-15-14-43-23-29(35(41-43)24-10-12-39-13-11-24)26-4-6-27-25(22-26)5-7-30(27)42-49/h1-4,6,10-13,22-23,31,49H,5,7-9,14-21H2,(H,40,45,46)/b42-30+
• InChIKey: LCMLYOMFJSRYDI-OJZPPULMSA-N
• XLogP: 3.27
• TPSA: 183.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.75
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 154606159) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCn4cc(-c5ccc6c(c5)CC/C6=N\O)c(-c5ccncc5)n4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is LCMLYOMFJSRYDI-OJZPPULMSA-N. The full InChI is InChI=1S/C38H38N6O9/c45-33-9-8-31(36(46)40-33)44-37(47)28-2-1-3-32(34(28)38(44)48)53-21-20-52-19-18-51-17-16-50-15-14-43-23-29(35(41-43)24-10-12-39-13-11-24)26-4-6-27-25(22-26)5-7-30(27)42-49/h1-4,6,10-13,22-23,31,49H,5,7-9,14-21H2,(H,40,45,46)/b42-30+.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 722.75 g/mol, XLogP of 3.27, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 154606159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).