4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide

C101H99F4N23O21 — CID 160839793

About 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide

4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide (PubChem CID 160839793) has the molecular formula C101H99F4N23O21 and a molecular weight of 2047.03 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide.

Molecular Properties

• Compound Name: 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide
• PubChem CID: 160839793
• Molecular Formula: C101H99F4N23O21
• Molecular Weight: 2047.03 g/mol
• Exact Mass: 2045.73
• IUPAC Name: 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide
• SMILES: NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCOCCCCOCCCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCOCCCOCCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C44H44F2N10O8.C42H40F2N10O8.C15H15N3O5/c45-44(46,30-10-11-32-28(25-30)7-6-17-47-32)43-52-51-36-14-12-33(53-56(36)43)29-26-49-54(27-29)19-1-2-20-62-21-3-4-22-63-23-16-37(57)48-18-24-64-35-9-5-8-31-39(35)42(61)55(41(31)60)34-13-15-38(58)50-40(34)59;43-42(44,28-8-9-30-26(23-28)5-2-15-45-30)41-50-49-34-12-10-31(51-54(34)41)27-24-47-52(25-27)17-3-18-60-19-4-20-61-21-14-35(55)46-16-22-62-33-7-1-6-29-37(33)40(59)53(39(29)58)32-11-13-36(56)48-38(32)57;16-6-7-23-10-3-1-2-8-12(10)15(22)18(14(8)21)9-4-5-11(19)17-13(9)20/h5-12,14,17,25-27,34H,1-4,13,15-16,18-24H2,(H,48,57)(H,50,58,59);1-2,5-10,12,15,23-25,32H,3-4,11,13-14,16-22H2,(H,46,55)(H,48,56,57);1-3,9H,4-7,16H2,(H,17,19,20)
• InChIKey: SHWMFPBNTAXXRE-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 547.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.03
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

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-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide?

The IUPAC name of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide (CID 160839793) is 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide.

What is the SMILES notation for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide?

The canonical SMILES for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide is NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCOCCCCOCCCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCOCCCOCCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide?

The InChIKey is SHWMFPBNTAXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44F2N10O8.C42H40F2N10O8.C15H15N3O5/c45-44(46,30-10-11-32-28(25-30)7-6-17-47-32)43-52-51-36-14-12-33(53-56(36)43)29-26-49-54(27-29)19-1-2-20-62-21-3-4-22-63-23-16-37(57)48-18-24-64-35-9-5-8-31-39(35)42(61)55(41(31)60)34-13-15-38(58)50-40(34)59;43-42(44,28-8-9-30-26(23-28)5-2-15-45-30)41-50-49-34-12-10-31(51-54(34)41)27-24-47-52(25-27)17-3-18-60-19-4-20-61-21-14-35(55)46-16-22-62-33-7-1-6-29-37(33)40(59)53(39(29)58)32-11-13-36(56)48-38(32)57;16-6-7-23-10-3-1-2-8-12(10)15(22)18(14(8)21)9-4-5-11(19)17-13(9)20/h5-12,14,17,25-27,34H,1-4,13,15-16,18-24H2,(H,48,57)(H,50,58,59);1-2,5-10,12,15,23-25,32H,3-4,11,13-14,16-22H2,(H,46,55)(H,48,56,57);1-3,9H,4-7,16H2,(H,17,19,20).

What are the key properties of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide?

4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide has a molecular weight of 2047.03 g/mol, XLogP of 7.16, 44 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]butoxy]butoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide;3-[3-[3-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]propoxy]propoxy]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]propanamide is sourced from PubChem (CID 160839793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).