N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

C91H102F3N17O25 — CID 165040652

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 165040652) has the molecular formula C91H102F3N17O25 and a molecular weight of 1890.90 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 165040652
• Molecular Formula: C91H102F3N17O25
• Molecular Weight: 1890.90 g/mol
• Exact Mass: 1889.72
• IUPAC Name: N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)CCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCOCCOCCOCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C45H50N8O11.C25H34N4O9.C19H17N5O3.C2HF3O2/c1-28-39(29(2)64-51-28)30-10-12-31(13-11-30)41-42(52-18-17-46-26-36(52)49-41)48-25-32(54)7-3-4-19-60-21-23-62-24-22-61-20-6-16-47-38(56)27-63-35-9-5-8-33-40(35)45(59)53(44(33)58)34-14-15-37(55)50-43(34)57;26-8-2-10-35-12-14-37-15-13-36-11-3-9-27-21(31)16-38-19-5-1-4-17-22(19)25(34)29(24(17)33)18-6-7-20(30)28-23(18)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/h5,8-13,17-18,26,34,48H,3-4,6-7,14-16,19-25,27H2,1-2H3,(H,47,56)(H,50,55,57);1,4-5,18H,2-3,6-16,26H2,(H,27,31)(H,28,30,32);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7)
• InChIKey: OVDDLJWFXFKDTG-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 553.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 46
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.90
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

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 N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid (CID 165040652) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)CCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1.NCCCOCCOCCOCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.

What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is OVDDLJWFXFKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N8O11.C25H34N4O9.C19H17N5O3.C2HF3O2/c1-28-39(29(2)64-51-28)30-10-12-31(13-11-30)41-42(52-18-17-46-26-36(52)49-41)48-25-32(54)7-3-4-19-60-21-23-62-24-22-61-20-6-16-47-38(56)27-63-35-9-5-8-33-40(35)45(59)53(44(33)58)34-14-15-37(55)50-43(34)57;26-8-2-10-35-12-14-37-15-13-36-11-3-9-27-21(31)16-38-19-5-1-4-17-22(19)25(34)29(24(17)33)18-6-7-20(30)28-23(18)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/h5,8-13,17-18,26,34,48H,3-4,6-7,14-16,19-25,27H2,1-2H3,(H,47,56)(H,50,55,57);1,4-5,18H,2-3,6-16,26H2,(H,27,31)(H,28,30,32);3-9,21H,10H2,1-2H3,(H,25,26);(H,6,7).

What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 1890.90 g/mol, XLogP of 7.03, 46 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid;N-[3-[2-[2-[6-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-5-oxohexoxy]ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165040652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).