4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid

C96H113F3N14O25 — CID 159724831

About 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid

4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid (PubChem CID 159724831) has the molecular formula C96H113F3N14O25 and a molecular weight of 1920.03 g/mol. Its IUPAC name is 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid
• PubChem CID: 159724831
• Molecular Formula: C96H113F3N14O25
• Molecular Weight: 1920.03 g/mol
• Exact Mass: 1918.80
• IUPAC Name: 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid
• SMILES: C.C.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2CCC(=O)CCCCOCCOCCOCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCOCCOCCOCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C47H52N6O11.C26H35N3O9.C19H17N5O3.C2HF3O2.2CH4/c1-30-42(31(2)64-51-30)32-12-14-33(15-13-32)44-37(52-21-20-48-28-40(52)49-44)17-16-34(54)8-3-5-22-60-24-26-62-27-25-61-23-6-4-9-35(55)29-63-39-11-7-10-36-43(39)47(59)53(46(36)58)38-18-19-41(56)50-45(38)57;27-10-4-12-36-14-16-37-15-13-35-11-2-1-5-18(30)17-38-21-7-3-6-19-23(21)26(34)29(25(19)33)20-8-9-22(31)28-24(20)32;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;;/h7,10-15,20-21,28,38H,3-6,8-9,16-19,22-27,29H2,1-2H3,(H,50,56,57);3,6-7,20H,1-2,4-5,8-17,27H2,(H,28,31,32);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7);2*1H4
• InChIKey: BXYDNBWIZQDZKM-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 517.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 48
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.03
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid (CID 159724831) is 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid?

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

What is the InChIKey of 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid?

The InChIKey is BXYDNBWIZQDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N6O11.C26H35N3O9.C19H17N5O3.C2HF3O2.2CH4/c1-30-42(31(2)64-51-30)32-12-14-33(15-13-32)44-37(52-21-20-48-28-40(52)49-44)17-16-34(54)8-3-5-22-60-24-26-62-27-25-61-23-6-4-9-35(55)29-63-39-11-7-10-36-43(39)47(59)53(46(36)58)38-18-19-41(56)50-45(38)57;27-10-4-12-36-14-16-37-15-13-35-11-2-1-5-18(30)17-38-21-7-3-6-19-23(21)26(34)29(25(19)33)20-8-9-22(31)28-24(20)32;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;;/h7,10-15,20-21,28,38H,3-6,8-9,16-19,22-27,29H2,1-2H3,(H,50,56,57);3,6-7,20H,1-2,4-5,8-17,27H2,(H,28,31,32);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7);2*1H4.

What are the key properties of 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid?

4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid has a molecular weight of 1920.03 g/mol, XLogP of 11.28, 48 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-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;4-[6-[2-[2-[7-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-5-oxoheptoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).