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

C41H38FN9O5 — CID 159926367

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (PubChem CID 159926367) has the molecular formula C41H38FN9O5 and a molecular weight of 755.81 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
• PubChem CID: 159926367
• Molecular Formula: C41H38FN9O5
• Molecular Weight: 755.81 g/mol
• Exact Mass: 755.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(CCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCCC8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C41H38FN9O5/c42-27-5-1-4-26(23-27)31-7-3-17-49(31)36-14-13-34-43-24-33(51(34)46-36)30-6-2-8-35(44-30)47-18-20-48(21-19-47)38(53)16-10-25-9-11-28-29(22-25)41(56)50(40(28)55)32-12-15-37(52)45-39(32)54/h1-2,4-6,8-9,11,13-14,22-24,31-32H,3,7,10,12,15-21H2,(H,45,52,54)
• InChIKey: CVWXTLGPZVUVDN-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 153.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.81
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (CID 159926367) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCCC8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C(=O)N1.

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

The InChIKey is CVWXTLGPZVUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38FN9O5/c42-27-5-1-4-26(23-27)31-7-3-17-49(31)36-14-13-34-43-24-33(51(34)46-36)30-6-2-8-35(44-30)47-18-20-48(21-19-47)38(53)16-10-25-9-11-28-29(22-25)41(56)50(40(28)55)32-12-15-37(52)45-39(32)54/h1-2,4-6,8-9,11,13-14,22-24,31-32H,3,7,10,12,15-21H2,(H,45,52,54).

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 755.81 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 159926367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).