5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde

C150H174N22O28 — CID 167564388

About 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde

5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde (PubChem CID 167564388) has the molecular formula C150H174N22O28 and a molecular weight of 2733.17 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde.

Molecular Properties

• Compound Name: 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde
• PubChem CID: 167564388
• Molecular Formula: C150H174N22O28
• Molecular Weight: 2733.17 g/mol
• Exact Mass: 2731.29
• IUPAC Name: 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde
• SMILES: CC(C)(C)OC(=O)N1CCC(CCC=O)CC1.CC(C)(C)OC(=O)N1CCC(CCCN2CC(Oc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(C=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(CN5CCC(CCCN6CC(Oc7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(OC4CN(CCCC5CCNCC5)C4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OC4CNC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H49N7O6.C29H38N4O7.C24H30N4O5.C22H19N3O2.C16H15N3O5.C13H23NO3/c1-50-39-12-15-47-24-38(39)35-7-4-30(21-41(35)50)31-5-11-43(48-23-31)59-33-19-29(20-33)25-51-17-13-28(14-18-51)3-2-16-52-26-34(27-52)58-32-6-8-36-37(22-32)46(57)53(45(36)56)40-9-10-42(54)49-44(40)55;1-29(2,3)40-28(38)32-13-10-18(11-14-32)5-4-12-31-16-20(17-31)39-19-6-7-21-22(15-19)27(37)33(26(21)36)23-8-9-24(34)30-25(23)35;29-21-6-5-20(22(30)26-21)28-23(31)18-4-3-16(12-19(18)24(28)32)33-17-13-27(14-17)11-1-2-15-7-9-25-10-8-15;1-25-20-6-7-23-12-19(20)18-4-2-15(10-21(18)25)16-3-5-22(24-11-16)27-17-8-14(9-17)13-26;20-13-4-3-12(14(21)18-13)19-15(22)10-2-1-8(5-11(10)16(19)23)24-9-6-17-7-9;1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h4-8,11-12,15,21-24,28-29,33-34,40H,2-3,9-10,13-14,16-20,25-27H2,1H3,(H,49,54,55);6-7,15,18,20,23H,4-5,8-14,16-17H2,1-3H3,(H,30,34,35);3-4,12,15,17,20,25H,1-2,5-11,13-14H2,(H,26,29,30);2-7,10-14,17H,8-9H2,1H3;1-2,5,9,12,17H,3-4,6-7H2,(H,18,20,21);10-11H,4-9H2,1-3H3
• InChIKey: FBXCTIDMLZFRBF-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 581.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.17
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde?

The IUPAC name of 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde (CID 167564388) is 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde.

What is the SMILES notation for 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde?

The canonical SMILES for 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde is CC(C)(C)OC(=O)N1CCC(CCC=O)CC1.CC(C)(C)OC(=O)N1CCC(CCCN2CC(Oc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(C=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(CN5CCC(CCCN6CC(Oc7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(OC4CN(CCCC5CCNCC5)C4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OC4CNC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde?

The InChIKey is FBXCTIDMLZFRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49N7O6.C29H38N4O7.C24H30N4O5.C22H19N3O2.C16H15N3O5.C13H23NO3/c1-50-39-12-15-47-24-38(39)35-7-4-30(21-41(35)50)31-5-11-43(48-23-31)59-33-19-29(20-33)25-51-17-13-28(14-18-51)3-2-16-52-26-34(27-52)58-32-6-8-36-37(22-32)46(57)53(45(36)56)40-9-10-42(54)49-44(40)55;1-29(2,3)40-28(38)32-13-10-18(11-14-32)5-4-12-31-16-20(17-31)39-19-6-7-21-22(15-19)27(37)33(26(21)36)23-8-9-24(34)30-25(23)35;29-21-6-5-20(22(30)26-21)28-23(31)18-4-3-16(12-19(18)24(28)32)33-17-13-27(14-17)11-1-2-15-7-9-25-10-8-15;1-25-20-6-7-23-12-19(20)18-4-2-15(10-21(18)25)16-3-5-22(24-11-16)27-17-8-14(9-17)13-26;20-13-4-3-12(14(21)18-13)19-15(22)10-2-1-8(5-11(10)16(19)23)24-9-6-17-7-9;1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h4-8,11-12,15,21-24,28-29,33-34,40H,2-3,9-10,13-14,16-20,25-27H2,1H3,(H,49,54,55);6-7,15,18,20,23H,4-5,8-14,16-17H2,1-3H3,(H,30,34,35);3-4,12,15,17,20,25H,1-2,5-11,13-14H2,(H,26,29,30);2-7,10-14,17H,8-9H2,1H3;1-2,5,9,12,17H,3-4,6-7H2,(H,18,20,21);10-11H,4-9H2,1-3H3.

What are the key properties of 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde?

5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde has a molecular weight of 2733.17 g/mol, XLogP of 15.31, 36 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azetidin-3-yloxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyazetidin-1-yl]propyl]piperidine-1-carboxylate;tert-butyl 4-(3-oxopropyl)piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[1-[[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]propyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-4-ylpropyl)azetidin-3-yl]oxyisoindole-1,3-dione;3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 167564388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).