4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride

C115H125ClF9N27O30 — CID 161257324

About 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride

4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 161257324) has the molecular formula C115H125ClF9N27O30 and a molecular weight of 2571.86 g/mol. Its IUPAC name is 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride
• PubChem CID: 161257324
• Molecular Formula: C115H125ClF9N27O30
• Molecular Weight: 2571.86 g/mol
• Exact Mass: 2569.86
• IUPAC Name: 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride
• SMILES: CC(=O)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c4)n3)c(N3CCN(CCO)C3=O)n2)cc1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3N3CCN(CCO)C3=O)co2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)O)co2)ccn1.COC(=O)c1ccc(-n2cc(N)c(N3CCN(CCO)C3=O)n2)cc1.Cl.NCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C32H33F3N8O7.C31H31F3N8O8.C20H25N3O6.C16H16F3N3O5.C16H19N5O4.ClH/c1-19(45)20-5-7-22(8-6-20)43-16-23(26(39-43)41-12-11-40(13-14-44)29(41)47)37-27(46)24-17-49-28(38-24)21-9-10-36-25(15-21)42(18-32(33,34)35)30(48)50-31(2,3)4;1-30(2,3)50-29(48)41(17-31(32,33)34)23-14-19(8-9-35-23)26-37-22(16-49-26)25(44)36-21-15-42(20-6-4-18(5-7-20)27(45)46)38-24(21)40-11-10-39(12-13-43)28(40)47;21-8-10-29-12-11-28-9-2-4-13-3-1-5-14-17(13)20(27)23(19(14)26)15-6-7-16(24)22-18(15)25;1-15(2,3)27-14(25)22(8-16(17,18)19)11-6-9(4-5-20-11)12-21-10(7-26-12)13(23)24;1-25-15(23)11-2-4-12(5-3-11)21-10-13(17)14(18-21)20-7-6-19(8-9-22)16(20)24;/h5-10,15-17,44H,11-14,18H2,1-4H3,(H,37,46);4-9,14-16,43H,10-13,17H2,1-3H3,(H,36,44)(H,45,46);1,3,5,15H,2,4,6-12,21H2,(H,22,24,25);4-7H,8H2,1-3H3,(H,23,24);2-5,10,22H,6-9,17H2,1H3;1H
• InChIKey: LTKHIWUVPHSIQW-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 720.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2571.86
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?

The IUPAC name of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride (CID 161257324) is 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?

The canonical SMILES for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride is CC(=O)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c4)n3)c(N3CCN(CCO)C3=O)n2)cc1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3N3CCN(CCO)C3=O)co2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)O)co2)ccn1.COC(=O)c1ccc(-n2cc(N)c(N3CCN(CCO)C3=O)n2)cc1.Cl.NCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?

The InChIKey is LTKHIWUVPHSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N8O7.C31H31F3N8O8.C20H25N3O6.C16H16F3N3O5.C16H19N5O4.ClH/c1-19(45)20-5-7-22(8-6-20)43-16-23(26(39-43)41-12-11-40(13-14-44)29(41)47)37-27(46)24-17-49-28(38-24)21-9-10-36-25(15-21)42(18-32(33,34)35)30(48)50-31(2,3)4;1-30(2,3)50-29(48)41(17-31(32,33)34)23-14-19(8-9-35-23)26-37-22(16-49-26)25(44)36-21-15-42(20-6-4-18(5-7-20)27(45)46)38-24(21)40-11-10-39(12-13-43)28(40)47;21-8-10-29-12-11-28-9-2-4-13-3-1-5-14-17(13)20(27)23(19(14)26)15-6-7-16(24)22-18(15)25;1-15(2,3)27-14(25)22(8-16(17,18)19)11-6-9(4-5-20-11)12-21-10(7-26-12)13(23)24;1-25-15(23)11-2-4-12(5-3-11)21-10-13(17)14(18-21)20-7-6-19(8-9-22)16(20)24;/h5-10,15-17,44H,11-14,18H2,1-4H3,(H,37,46);4-9,14-16,43H,10-13,17H2,1-3H3,(H,36,44)(H,45,46);1,3,5,15H,2,4,6-12,21H2,(H,22,24,25);4-7H,8H2,1-3H3,(H,23,24);2-5,10,22H,6-9,17H2,1H3;1H.

What are the key properties of 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?

4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 2571.86 g/mol, XLogP of 13.97, 39 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[4-[4-[[1-(4-acetylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;methyl 4-[4-amino-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-1-yl]benzoate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 161257324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).