4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid

C98H126F3N17O27 — CID 158298866

About 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid (PubChem CID 158298866) has the molecular formula C98H126F3N17O27 and a molecular weight of 2031.17 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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid
• PubChem CID: 158298866
• Molecular Formula: C98H126F3N17O27
• Molecular Weight: 2031.17 g/mol
• Exact Mass: 2029.90
• IUPAC Name: 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid
• SMILES: C.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3OC)nc2N1C1CCCC1.NCCCOCCOCCOCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C47H59N9O12.C26H35N3O9.C22H27N5O4.C2HF3O2.CH4/c1-4-33-45(62)54(2)35-27-50-47(53-41(35)55(33)30-10-5-6-11-30)51-32-15-14-29(26-37(32)64-3)42(59)49-19-9-21-66-23-25-67-24-22-65-20-8-18-48-39(58)28-68-36-13-7-12-31-40(36)46(63)56(44(31)61)34-16-17-38(57)52-43(34)60;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;1-4-16-20(28)26(2)17-12-23-22(25-19(17)27(16)14-7-5-6-8-14)24-15-10-9-13(21(29)30)11-18(15)31-3;3-2(4,5)1(6)7;/h7,12-15,26-27,30,33-34H,4-6,8-11,16-25,28H2,1-3H3,(H,48,58)(H,49,59)(H,50,51,53)(H,52,57,60);3,6-7,20H,1-2,4-5,8-17,27H2,(H,28,31,32);9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25);(H,6,7);1H4/t33-,34?;;16-;;/m1.1../s1
• InChIKey: SMWSRYYTXXXVQT-NVZWKNHESA-N
• XLogP: 8.19
• TPSA: 558.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2031.17
LogP ≤ 5	8.19
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 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid (CID 158298866) is 4-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid is C.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3OC)nc2N1C1CCCC1.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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid?

The InChIKey is SMWSRYYTXXXVQT-NVZWKNHESA-N. The full InChI is InChI=1S/C47H59N9O12.C26H35N3O9.C22H27N5O4.C2HF3O2.CH4/c1-4-33-45(62)54(2)35-27-50-47(53-41(35)55(33)30-10-5-6-11-30)51-32-15-14-29(26-37(32)64-3)42(59)49-19-9-21-66-23-25-67-24-22-65-20-8-18-48-39(58)28-68-36-13-7-12-31-40(36)46(63)56(44(31)61)34-16-17-38(57)52-43(34)60;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;1-4-16-20(28)26(2)17-12-23-22(25-19(17)27(16)14-7-5-6-8-14)24-15-10-9-13(21(29)30)11-18(15)31-3;3-2(4,5)1(6)7;/h7,12-15,26-27,30,33-34H,4-6,8-11,16-25,28H2,1-3H3,(H,48,58)(H,49,59)(H,50,51,53)(H,52,57,60);3,6-7,20H,1-2,4-5,8-17,27H2,(H,28,31,32);9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25);(H,6,7);1H4/t33-,34?;;16-;;/m1.1../s1.

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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid has a molecular weight of 2031.17 g/mol, XLogP of 8.19, 48 rotatable bonds, 9 hydrogen bond donors, and 34 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;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158298866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).