3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid

C83H82F3N13O19 — CID 157369959

About 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid

3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 157369959) has the molecular formula C83H82F3N13O19 and a molecular weight of 1622.63 g/mol. Its IUPAC name is 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid
• PubChem CID: 157369959
• Molecular Formula: C83H82F3N13O19
• Molecular Weight: 1622.63 g/mol
• Exact Mass: 1621.58
• IUPAC Name: 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)C(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCCCC(=O)COc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C41H40N6O8.C21H24N2O6.C19H17N5O3.C2HF3O2/c1-23-35(24(2)55-46-23)25-10-12-26(13-11-25)38-30(47-20-19-42-21-32(47)44-38)15-17-33(49)43-18-5-3-4-7-27(48)22-54-31-9-6-8-28-36(31)40(52)37(39(28)51)29-14-16-34(50)45-41(29)53;22-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(27)18(19(13)26)14-8-9-16(25)23-21(14)28;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/h6,8-13,19-21,29,37H,3-5,7,14-18,22H2,1-2H3,(H,43,49)(H,45,50,53);4,6-7,14,18H,1-3,5,8-11,22H2,(H,23,25,28);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7)
• InChIKey: LJFZSWXYSROMHH-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 467.41 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	1622.63
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid (CID 157369959) is 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)C(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCCCC(=O)COc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

The InChIKey is LJFZSWXYSROMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N6O8.C21H24N2O6.C19H17N5O3.C2HF3O2/c1-23-35(24(2)55-46-23)25-10-12-26(13-11-25)38-30(47-20-19-42-21-32(47)44-38)15-17-33(49)43-18-5-3-4-7-27(48)22-54-31-9-6-8-28-36(31)40(52)37(39(28)51)29-14-16-34(50)45-41(29)53;22-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(27)18(19(13)26)14-8-9-16(25)23-21(14)28;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/h6,8-13,19-21,29,37H,3-5,7,14-18,22H2,1-2H3,(H,43,49)(H,45,50,53);4,6-7,14,18H,1-3,5,8-11,22H2,(H,23,25,28);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7).

What are the key properties of 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid?

3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 1622.63 g/mol, XLogP of 9.97, 29 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(7-amino-2-oxoheptoxy)-1,3-dioxoinden-2-yl]piperidine-2,6-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-dioxoinden-4-yl]oxy-6-oxoheptyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157369959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).