3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C164H165N19O32S — CID 157282886

About 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 157282886) has the molecular formula C164H165N19O32S and a molecular weight of 2946.29 g/mol. Its IUPAC name is 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 157282886
• Molecular Formula: C164H165N19O32S
• Molecular Weight: 2946.29 g/mol
• Exact Mass: 2944.16
• IUPAC Name: 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC1CCN(Cc2cc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)on2)CC1.NC1N=C(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C=C1CN1CCOCC1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)C1.O=CO
• InChI: InChI=1S/C31H27N3O4.C31H30N2O5.C30H27N3O5.C25H29N3O5.C23H27N5O5.C23H23N3O6S.CH2O2/c35-24-13-14-28(29(36)15-24)34-17-26-25(31(34)37)7-4-8-30(26)38-19-22-11-9-21(10-12-22)16-33-18-27(32-20-33)23-5-2-1-3-6-23;34-24-12-13-27(28(35)16-24)33-19-26-25(31(33)36)5-3-7-30(26)38-20-22-10-8-21(9-11-22)17-32-14-15-37-29-6-2-1-4-23(29)18-32;34-22-10-11-25(26(35)15-22)33-29(36)23-4-1-5-27(28(23)30(33)37)38-18-20-8-6-19(7-9-20)16-32-14-12-24-21(17-32)3-2-13-31-24;1-16-7-9-27(10-8-16)13-17-11-19(33-26-17)15-32-24-4-2-3-20-21(24)14-28(25(20)31)22-6-5-18(29)12-23(22)30;24-21-14(11-27-6-8-32-9-7-27)10-15(25-21)13-33-19-3-1-2-16-17(19)12-28(23(16)31)18-4-5-20(29)26-22(18)30;27-15-4-5-17(18(28)10-15)26-22(29)16-2-1-3-19(21(16)23(26)30)32-12-20-24-14(13-33-20)11-25-6-8-31-9-7-25;2-1-3/h1-12,18,20,28H,13-17,19H2;1-11,27H,12-20H2;1-9,13,25H,10-12,14-18H2;2-4,11,16,22H,5-10,12-15H2,1H3;1-3,10,18,21H,4-9,11-13,24H2,(H,26,29,30);1-3,13,17H,4-12H2;1H,(H,2,3)
• InChIKey: AZWJVIFNVJPJMZ-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 617.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 37
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.29
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 157282886) is 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC1CCN(Cc2cc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)on2)CC1.NC1N=C(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C=C1CN1CCOCC1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)C1.O=CO.

What is the InChIKey of 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is AZWJVIFNVJPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4.C31H30N2O5.C30H27N3O5.C25H29N3O5.C23H27N5O5.C23H23N3O6S.CH2O2/c35-24-13-14-28(29(36)15-24)34-17-26-25(31(34)37)7-4-8-30(26)38-19-22-11-9-21(10-12-22)16-33-18-27(32-20-33)23-5-2-1-3-6-23;34-24-12-13-27(28(35)16-24)33-19-26-25(31(33)36)5-3-7-30(26)38-20-22-10-8-21(9-11-22)17-32-14-15-37-29-6-2-1-4-23(29)18-32;34-22-10-11-25(26(35)15-22)33-29(36)23-4-1-5-27(28(23)30(33)37)38-18-20-8-6-19(7-9-20)16-32-14-12-24-21(17-32)3-2-13-31-24;1-16-7-9-27(10-8-16)13-17-11-19(33-26-17)15-32-24-4-2-3-20-21(24)14-28(25(20)31)22-6-5-18(29)12-23(22)30;24-21-14(11-27-6-8-32-9-7-27)10-15(25-21)13-33-19-3-1-2-16-17(19)12-28(23(16)31)18-4-5-20(29)26-22(18)30;27-15-4-5-17(18(28)10-15)26-22(29)16-2-1-3-19(21(16)23(26)30)32-12-20-24-14(13-33-20)11-25-6-8-31-9-7-25;2-1-3/h1-12,18,20,28H,13-17,19H2;1-11,27H,12-20H2;1-9,13,25H,10-12,14-18H2;2-4,11,16,22H,5-10,12-15H2,1H3;1-3,10,18,21H,4-9,11-13,24H2,(H,26,29,30);1-3,13,17H,4-12H2;1H,(H,2,3).

What are the key properties of 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2946.29 g/mol, XLogP of 17.13, 37 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 157282886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).