4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid

C81H80F3N15O19 — CID 160528424

About 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid

4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 160528424) has the molecular formula C81H80F3N15O19 and a molecular weight of 1624.61 g/mol. Its IUPAC name is 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid
• PubChem CID: 160528424
• Molecular Formula: C81H80F3N15O19
• Molecular Weight: 1624.61 g/mol
• Exact Mass: 1623.57
• IUPAC Name: 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C40H39N7O8.C20H23N3O6.C19H17N5O3.C2HF3O2/c1-23-35(24(2)55-45-23)25-10-12-26(13-11-25)37-29(46-20-19-41-21-32(46)43-37)14-16-33(49)42-18-5-3-4-7-27(48)22-54-31-9-6-8-28-36(31)40(53)47(39(28)52)30-15-17-34(50)44-38(30)51;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;1-11-17(12(2)27-23-11)13-3-5-14(6-4-13)18-19(21-10-16(25)26)24-8-7-20-9-15(24)22-18;3-2(4,5)1(6)7/h6,8-13,19-21,30H,3-5,7,14-18,22H2,1-2H3,(H,42,49)(H,44,50,51);4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7)
• InChIKey: HNELJNQFFWNONS-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 473.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.61
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid (CID 160528424) is 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.

What is the InChIKey of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The InChIKey is HNELJNQFFWNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39N7O8.C20H23N3O6.C19H17N5O3.C2HF3O2/c1-23-35(24(2)55-45-23)25-10-12-26(13-11-25)37-29(46-20-19-41-21-32(46)43-37)14-16-33(49)42-18-5-3-4-7-27(48)22-54-31-9-6-8-28-36(31)40(53)47(39(28)52)30-15-17-34(50)44-38(30)51;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;1-11-17(12(2)27-23-11)13-3-5-14(6-4-13)18-19(21-10-16(25)26)24-8-7-20-9-15(24)22-18;3-2(4,5)1(6)7/h6,8-13,19-21,30H,3-5,7,14-18,22H2,1-2H3,(H,42,49)(H,44,50,51);4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7).

What are the key properties of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 1624.61 g/mol, XLogP of 8.68, 29 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;3-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160528424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).