3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine

C83H88F2N18O6 — CID 163521793

About 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine

3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 163521793) has the molecular formula C83H88F2N18O6 and a molecular weight of 1471.73 g/mol. Its IUPAC name is 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
• PubChem CID: 163521793
• Molecular Formula: C83H88F2N18O6
• Molecular Weight: 1471.73 g/mol
• Exact Mass: 1470.71
• IUPAC Name: 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
• SMILES: CCCCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2Cc3cc(CCCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C41H42FN9O3.C25H26FN7.C17H20N2O3/c42-30-7-1-6-28(24-30)33-9-4-18-49(33)38-15-14-36-43-25-35(51(36)46-38)32-8-2-10-37(44-32)48-21-19-47(20-22-48)17-3-5-27-11-12-31-29(23-27)26-50(41(31)54)34-13-16-39(52)45-40(34)53;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-2-3-4-11-5-6-13-12(9-11)10-19(17(13)22)14-7-8-15(20)18-16(14)21/h1-2,6-8,10-12,14-15,23-25,33-34H,3-5,9,13,16-22,26H2,(H,45,52,53);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20,21)/t33-,34?;21-;/m11./s1
• InChIKey: DLLRTWZYNPARCA-JFJDCEBHSA-N
• XLogP: 10.26
• TPSA: 247.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.73
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?

The IUPAC name of 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine (CID 163521793) is 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine is CCCCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2Cc3cc(CCCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?

The InChIKey is DLLRTWZYNPARCA-JFJDCEBHSA-N. The full InChI is InChI=1S/C41H42FN9O3.C25H26FN7.C17H20N2O3/c42-30-7-1-6-28(24-30)33-9-4-18-49(33)38-15-14-36-43-25-35(51(36)46-38)32-8-2-10-37(44-32)48-21-19-47(20-22-48)17-3-5-27-11-12-31-29(23-27)26-50(41(31)54)34-13-16-39(52)45-40(34)53;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-2-3-4-11-5-6-13-12(9-11)10-19(17(13)22)14-7-8-15(20)18-16(14)21/h1-2,6-8,10-12,14-15,23-25,33-34H,3-5,9,13,16-22,26H2,(H,45,52,53);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20,21)/t33-,34?;21-;/m11./s1.

What are the key properties of 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?

3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 1471.73 g/mol, XLogP of 10.26, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163521793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).