2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

C51H59FN10O9 — CID 159395156

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 159395156) has the molecular formula C51H59FN10O9 and a molecular weight of 975.09 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 159395156
• Molecular Formula: C51H59FN10O9
• Molecular Weight: 975.09 g/mol
• Exact Mass: 974.45
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: O=C(CCCOCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@H]5c5cccc(F)c5)nn34)n2)CC1
• InChI: InChI=1S/C51H59FN10O9/c52-36-6-1-5-35(31-36)42-9-3-18-60(42)47-15-14-45-54-33-44(62(45)57-47)41-8-2-10-46(55-41)59-21-19-58(20-22-59)34-38(63)7-4-23-68-25-27-70-29-30-71-28-26-69-24-17-53-37-11-12-39-40(32-37)51(67)61(50(39)66)43-13-16-48(64)56-49(43)65/h1-2,5-6,8,10-12,14-15,31-33,42-43,53H,3-4,7,9,13,16-30,34H2,(H,56,64,65)/t42-,43?/m0/s1
• InChIKey: NPQSFVQWIZEONN-ZAGGQVEOSA-N
• XLogP: 4.32
• TPSA: 202.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.09
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 159395156) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is O=C(CCCOCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@H]5c5cccc(F)c5)nn34)n2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is NPQSFVQWIZEONN-ZAGGQVEOSA-N. The full InChI is InChI=1S/C51H59FN10O9/c52-36-6-1-5-35(31-36)42-9-3-18-60(42)47-15-14-45-54-33-44(62(45)57-47)41-8-2-10-46(55-41)59-21-19-58(20-22-59)34-38(63)7-4-23-68-25-27-70-29-30-71-28-26-69-24-17-53-37-11-12-39-40(32-37)51(67)61(50(39)66)43-13-16-48(64)56-49(43)65/h1-2,5-6,8,10-12,14-15,31-33,42-43,53H,3-4,7,9,13,16-30,34H2,(H,56,64,65)/t42-,43?/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 975.09 g/mol, XLogP of 4.32, 24 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 159395156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).