4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride

C81H91ClF6N22O19 — CID 159415717

About 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride

4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 159415717) has the molecular formula C81H91ClF6N22O19 and a molecular weight of 1826.19 g/mol. Its IUPAC name is 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
• PubChem CID: 159415717
• Molecular Formula: C81H91ClF6N22O19
• Molecular Weight: 1826.19 g/mol
• Exact Mass: 1824.64
• IUPAC Name: 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
• SMILES: Cl.NC(=O)c1nn(C2CCN(C(=O)NCCOCCOCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C41H44F3N11O10.C20H21F3N8O3.C20H25N3O6.ClH/c42-41(43,44)22-48-30-19-24(8-11-46-30)37-50-28(21-65-37)35(58)49-27-20-54(52-33(27)34(45)57)25-9-13-53(14-10-25)40(62)47-12-16-64-18-17-63-15-2-4-23-3-1-5-26-32(23)39(61)55(38(26)60)29-6-7-31(56)51-36(29)59;21-20(22,23)10-27-15-7-11(1-6-26-15)19-29-14(9-34-19)18(33)28-13-8-31(30-16(13)17(24)32)12-2-4-25-5-3-12;21-8-10-29-12-11-28-9-2-4-13-3-1-5-14-17(13)20(27)23(19(14)26)15-6-7-16(24)22-18(15)25;/h1,3,5,8,11,19-21,25,29H,2,4,6-7,9-10,12-18,22H2,(H2,45,57)(H,46,48)(H,47,62)(H,49,58)(H,51,56,59);1,6-9,12,25H,2-5,10H2,(H2,24,32)(H,26,27)(H,28,33);1,3,5,15H,2,4,6-12,21H2,(H,22,24,25);1H
• InChIKey: HOWMZBIQKWMNRB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 556.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.19
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	11
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-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The IUPAC name of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride (CID 159415717) is 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The canonical SMILES for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1nn(C2CCN(C(=O)NCCOCCOCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The InChIKey is HOWMZBIQKWMNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44F3N11O10.C20H21F3N8O3.C20H25N3O6.ClH/c42-41(43,44)22-48-30-19-24(8-11-46-30)37-50-28(21-65-37)35(58)49-27-20-54(52-33(27)34(45)57)25-9-13-53(14-10-25)40(62)47-12-16-64-18-17-63-15-2-4-23-3-1-5-26-32(23)39(61)55(38(26)60)29-6-7-31(56)51-36(29)59;21-20(22,23)10-27-15-7-11(1-6-26-15)19-29-14(9-34-19)18(33)28-13-8-31(30-16(13)17(24)32)12-2-4-25-5-3-12;21-8-10-29-12-11-28-9-2-4-13-3-1-5-14-17(13)20(27)23(19(14)26)15-6-7-16(24)22-18(15)25;/h1,3,5,8,11,19-21,25,29H,2,4,6-7,9-10,12-18,22H2,(H2,45,57)(H,46,48)(H,47,62)(H,49,58)(H,51,56,59);1,6-9,12,25H,2-5,10H2,(H2,24,32)(H,26,27)(H,28,33);1,3,5,15H,2,4,6-12,21H2,(H,22,24,25);1H.

What are the key properties of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride?

4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 1826.19 g/mol, XLogP of 5.29, 35 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[3-carbamoyl-1-[1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 159415717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).