2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione

C44H45FN10O4 — CID 168870730

About 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 168870730) has the molecular formula C44H45FN10O4 and a molecular weight of 796.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione
• PubChem CID: 168870730
• Molecular Formula: C44H45FN10O4
• Molecular Weight: 796.91 g/mol
• Exact Mass: 796.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(CN4CCC(N5CCN(c6cccc(-c7cnc8ccc(N9CCC[C@@H]9c9cccc(F)c9)nn78)n6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C44H45FN10O4/c45-30-5-1-4-29(25-30)35-7-3-17-53(35)40-13-12-38-46-26-37(55(38)49-40)34-6-2-8-39(47-34)52-22-20-51(21-23-52)31-15-18-50(19-16-31)27-28-9-10-32-33(24-28)44(59)54(43(32)58)36-11-14-41(56)48-42(36)57/h1-2,4-6,8-10,12-13,24-26,31,35-36H,3,7,11,14-23,27H2,(H,48,56,57)/t35-,36?/m1/s1
• InChIKey: IVXVSXOLPLGMHL-RERZGLEZSA-N
• XLogP: 4.46
• TPSA: 139.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.91
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione (CID 168870730) is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCC(N5CCN(c6cccc(-c7cnc8ccc(N9CCC[C@@H]9c9cccc(F)c9)nn78)n6)CC5)CC4)cc3C2=O)C(=O)N1.

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

The InChIKey is IVXVSXOLPLGMHL-RERZGLEZSA-N. The full InChI is InChI=1S/C44H45FN10O4/c45-30-5-1-4-29(25-30)35-7-3-17-53(35)40-13-12-38-46-26-37(55(38)49-40)34-6-2-8-39(47-34)52-22-20-51(21-23-52)31-15-18-50(19-16-31)27-28-9-10-32-33(24-28)44(59)54(43(32)58)36-11-14-41(56)48-42(36)57/h1-2,4-6,8-10,12-13,24-26,31,35-36H,3,7,11,14-23,27H2,(H,48,56,57)/t35-,36?/m1/s1.

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

2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 796.91 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 168870730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).