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

C42H41FN10O4 — CID 162470350

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 162470350) has the molecular formula C42H41FN10O4 and a molecular weight of 768.85 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 162470350
• Molecular Formula: C42H41FN10O4
• Molecular Weight: 768.85 g/mol
• Exact Mass: 768.33
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC(CN5CCN(c6cccc(-c7cn8nc(N9CCC[C@@H]9c9cccc(F)c9)ccc8n7)n6)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H41FN10O4/c43-28-5-1-4-27(20-28)34-7-3-15-51(34)38-13-12-37-45-33(25-52(37)47-38)32-6-2-8-36(44-32)49-18-16-48(17-19-49)22-26-23-50(24-26)29-9-10-30-31(21-29)42(57)53(41(30)56)35-11-14-39(54)46-40(35)55/h1-2,4-6,8-10,12-13,20-21,25-26,34-35H,3,7,11,14-19,22-24H2,(H,46,54,55)/t34-,35?/m1/s1
• InChIKey: WWDUBMXMYWONIZ-IFDNYZKCSA-N
• XLogP: 3.93
• TPSA: 139.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.85
LogP ≤ 5	3.93
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-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione (CID 162470350) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC(CN5CCN(c6cccc(-c7cn8nc(N9CCC[C@@H]9c9cccc(F)c9)ccc8n7)n6)CC5)C4)cc3C2=O)C(=O)N1.

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

The InChIKey is WWDUBMXMYWONIZ-IFDNYZKCSA-N. The full InChI is InChI=1S/C42H41FN10O4/c43-28-5-1-4-27(20-28)34-7-3-15-51(34)38-13-12-37-45-33(25-52(37)47-38)32-6-2-8-36(44-32)49-18-16-48(17-19-49)22-26-23-50(24-26)29-9-10-30-31(21-29)42(57)53(41(30)56)35-11-14-39(54)46-40(35)55/h1-2,4-6,8-10,12-13,20-21,25-26,34-35H,3,7,11,14-19,22-24H2,(H,46,54,55)/t34-,35?/m1/s1.

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 768.85 g/mol, XLogP of 3.93, 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-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridinyl]piperazin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 162470350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).