5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid

C101H119F2N21O19 — CID 163746857

About 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid

5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid (PubChem CID 163746857) has the molecular formula C101H119F2N21O19 and a molecular weight of 1969.19 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid
• PubChem CID: 163746857
• Molecular Formula: C101H119F2N21O19
• Molecular Weight: 1969.19 g/mol
• Exact Mass: 1967.90
• IUPAC Name: 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid
• SMILES: NCCOCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.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.O=C(O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1
• InChI: InChI=1S/C51H59FN10O9.C27H28FN7O2.C23H32N4O8/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;28-20-5-1-4-19(16-20)22-7-3-11-34(22)26-10-9-24-29-17-23(35(24)31-26)21-6-2-8-25(30-21)33-14-12-32(13-15-33)18-27(36)37;24-5-7-32-9-11-34-13-14-35-12-10-33-8-6-25-16-1-2-17-18(15-16)23(31)27(22(17)30)19-3-4-20(28)26-21(19)29/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);1-2,4-6,8-10,16-17,22H,3,7,11-15,18H2,(H,36,37);1-2,15,19,25H,3-14,24H2,(H,26,28,29)/t42-,43?;22-;/m11./s1
• InChIKey: LMPQADLKGYSBAP-QPFFNQRXSA-N
• XLogP: 7.33
• TPSA: 450.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1969.19
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid?

The IUPAC name of 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid (CID 163746857) is 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid.

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

The canonical SMILES for 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid is NCCOCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.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.O=C(O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1.

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

The InChIKey is LMPQADLKGYSBAP-QPFFNQRXSA-N. The full InChI is InChI=1S/C51H59FN10O9.C27H28FN7O2.C23H32N4O8/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;28-20-5-1-4-19(16-20)22-7-3-11-34(22)26-10-9-24-29-17-23(35(24)31-26)21-6-2-8-25(30-21)33-14-12-32(13-15-33)18-27(36)37;24-5-7-32-9-11-34-13-14-35-12-10-33-8-6-25-16-1-2-17-18(15-16)23(31)27(22(17)30)19-3-4-20(28)26-21(19)29/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);1-2,4-6,8-10,16-17,22H,3,7,11-15,18H2,(H,36,37);1-2,15,19,25H,3-14,24H2,(H,26,28,29)/t42-,43?;22-;/m11./s1.

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

5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid has a molecular weight of 1969.19 g/mol, XLogP of 7.33, 46 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[5-[4-[6-[6-[(2R)-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-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 163746857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).