5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

C126H132BBr2ClF4N22O20 — CID 167629344

About 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (PubChem CID 167629344) has the molecular formula C126H132BBr2ClF4N22O20 and a molecular weight of 2556.64 g/mol. Its IUPAC name is 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• PubChem CID: 167629344
• Molecular Formula: C126H132BBr2ClF4N22O20
• Molecular Weight: 2556.64 g/mol
• Exact Mass: 2552.81
• IUPAC Name: 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• SMILES: CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CC(OC2CCN(CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.N#Cc1cc(Br)cnc1Cl.N#Cc1cc(Br)cnc1N1CC(OC2CCN(CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CNC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C44H42F2N8O6.C32H35BrN6O6.C26H34N4O6.C18H19BF2N2O2.C6H2BrClN2/c45-44(46)53-36-10-13-48-23-35(36)32-6-4-26(19-38(32)53)28-18-27(21-47)40(49-22-28)52-24-31(25-52)60-29-11-15-51(16-12-29)14-2-1-3-17-59-30-5-7-33-34(20-30)43(58)54(42(33)57)37-8-9-39(55)50-41(37)56;33-21-14-20(16-34)29(35-17-21)38-18-24(19-38)45-22-8-11-37(12-9-22)10-2-1-3-13-44-23-4-5-25-26(15-23)32(43)39(31(25)42)27-6-7-28(40)36-30(27)41;31-23-7-6-22(24(32)28-23)30-25(33)20-5-4-18(14-21(20)26(30)34)35-13-3-1-2-10-29-11-8-17(9-12-29)36-19-15-27-16-19;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;7-5-1-4(2-9)6(8)10-3-5/h4-7,10,13,18-20,22-23,29,31,37,44H,1-3,8-9,11-12,14-17,24-25H2,(H,50,55,56);4-5,14-15,17,22,24,27H,1-3,6-13,18-19H2,(H,36,40,41);4-5,14,17,19,22,27H,1-3,6-13,15-16H2,(H,28,31,32);5-10,16H,1-4H3;1,3H
• InChIKey: NOHJOBSUZSMAIN-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 498.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.64
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The IUPAC name of 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (CID 167629344) is 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

What is the SMILES notation for 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The canonical SMILES for 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CC(OC2CCN(CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.N#Cc1cc(Br)cnc1Cl.N#Cc1cc(Br)cnc1N1CC(OC2CCN(CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CNC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The InChIKey is NOHJOBSUZSMAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42F2N8O6.C32H35BrN6O6.C26H34N4O6.C18H19BF2N2O2.C6H2BrClN2/c45-44(46)53-36-10-13-48-23-35(36)32-6-4-26(19-38(32)53)28-18-27(21-47)40(49-22-28)52-24-31(25-52)60-29-11-15-51(16-12-29)14-2-1-3-17-59-30-5-7-33-34(20-30)43(58)54(42(33)57)37-8-9-39(55)50-41(37)56;33-21-14-20(16-34)29(35-17-21)38-18-24(19-38)45-22-8-11-37(12-9-22)10-2-1-3-13-44-23-4-5-25-26(15-23)32(43)39(31(25)42)27-6-7-28(40)36-30(27)41;31-23-7-6-22(24(32)28-23)30-25(33)20-5-4-18(14-21(20)26(30)34)35-13-3-1-2-10-29-11-8-17(9-12-29)36-19-15-27-16-19;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;7-5-1-4(2-9)6(8)10-3-5/h4-7,10,13,18-20,22-23,29,31,37,44H,1-3,8-9,11-12,14-17,24-25H2,(H,50,55,56);4-5,14-15,17,22,24,27H,1-3,6-13,18-19H2,(H,36,40,41);4-5,14,17,19,22,27H,1-3,6-13,15-16H2,(H,28,31,32);5-10,16H,1-4H3;1,3H.

What are the key properties of 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole has a molecular weight of 2556.64 g/mol, XLogP of 16.22, 36 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-(azetidin-3-yloxy)piperidin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]oxyazetidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 167629344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).