2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

C41H47N7O9 — CID 155013344

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 155013344) has the molecular formula C41H47N7O9 and a molecular weight of 781.87 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 155013344
• Molecular Formula: C41H47N7O9
• Molecular Weight: 781.87 g/mol
• Exact Mass: 781.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCCn4cc(-c5ccc6c(c5)CCC6NO)c(-c5ccncc5)n4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C41H47N7O9/c49-36-10-9-35(39(50)44-36)48-40(51)31-3-1-4-34(37(31)41(48)52)43-15-18-55-20-22-57-24-23-56-21-19-54-17-2-16-47-26-32(38(45-47)27-11-13-42-14-12-27)29-5-7-30-28(25-29)6-8-33(30)46-53/h1,3-5,7,11-14,25-26,33,35,43,46,53H,2,6,8-10,15-24H2,(H,44,49,50)
• InChIKey: RPJGSIKLMOXCLP-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 195.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.87
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 155013344) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCCn4cc(-c5ccc6c(c5)CCC6NO)c(-c5ccncc5)n4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is RPJGSIKLMOXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47N7O9/c49-36-10-9-35(39(50)44-36)48-40(51)31-3-1-4-34(37(31)41(48)52)43-15-18-55-20-22-57-24-23-56-21-19-54-17-2-16-47-26-32(38(45-47)27-11-13-42-14-12-27)29-5-7-30-28(25-29)6-8-33(30)46-53/h1,3-5,7,11-14,25-26,33,35,43,46,53H,2,6,8-10,15-24H2,(H,44,49,50).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 781.87 g/mol, XLogP of 3.55, 21 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 155013344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).