4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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

C93H103F2N21O15 — CID 162013656

About 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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

4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 162013656) has the molecular formula C93H103F2N21O15 and a molecular weight of 1792.97 g/mol. Its IUPAC name is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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: 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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: 162013656
• Molecular Formula: C93H103F2N21O15
• Molecular Weight: 1792.97 g/mol
• Exact Mass: 1791.79
• IUPAC Name: 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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: NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCOCCOCCNc1cccc2c1C(=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/C47H51FN10O7.C27H28FN7O2.C19H24N4O6/c48-32-7-1-6-31(28-32)37-12-4-19-56(37)42-16-15-40-50-29-39(58(40)53-42)35-10-3-13-41(51-35)55-22-20-54(21-23-55)30-33(59)8-5-24-64-26-27-65-25-18-49-36-11-2-9-34-44(36)47(63)57(46(34)62)38-14-17-43(60)52-45(38)61;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;20-6-8-28-10-11-29-9-7-21-13-3-1-2-12-16(13)19(27)23(18(12)26)14-4-5-15(24)22-17(14)25/h1-3,6-7,9-11,13,15-16,28-29,37-38,49H,4-5,8,12,14,17-27,30H2,(H,52,60,61);1-2,4-6,8-10,16-17,22H,3,7,11-15,18H2,(H,36,37);1-3,14,21H,4-11,20H2,(H,22,24,25)/t37-,38?;22-;/m11./s1
• InChIKey: YTUUAHGWYRMPJQ-VMAHINIASA-N
• XLogP: 7.26
• TPSA: 414.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.97
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 162013656) is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCOCCOCCNc1cccc2c1C(=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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 YTUUAHGWYRMPJQ-VMAHINIASA-N. The full InChI is InChI=1S/C47H51FN10O7.C27H28FN7O2.C19H24N4O6/c48-32-7-1-6-31(28-32)37-12-4-19-56(37)42-16-15-40-50-29-39(58(40)53-42)35-10-3-13-41(51-35)55-22-20-54(21-23-55)30-33(59)8-5-24-64-26-27-65-25-18-49-36-11-2-9-34-44(36)47(63)57(46(34)62)38-14-17-43(60)52-45(38)61;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;20-6-8-28-10-11-29-9-7-21-13-3-1-2-12-16(13)19(27)23(18(12)26)14-4-5-15(24)22-17(14)25/h1-3,6-7,9-11,13,15-16,28-29,37-38,49H,4-5,8,12,14,17-27,30H2,(H,52,60,61);1-2,4-6,8-10,16-17,22H,3,7,11-15,18H2,(H,36,37);1-3,14,21H,4-11,20H2,(H,22,24,25)/t37-,38?;22-;/m11./s1.

What are the key properties of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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?

4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 1792.97 g/mol, XLogP of 7.26, 34 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[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]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 162013656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).