7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

C86H85F5N12O16 — CID 167695296

About 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (PubChem CID 167695296) has the molecular formula C86H85F5N12O16 and a molecular weight of 1637.68 g/mol. Its IUPAC name is 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

• Compound Name: 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
• PubChem CID: 167695296
• Molecular Formula: C86H85F5N12O16
• Molecular Weight: 1637.68 g/mol
• Exact Mass: 1636.61
• IUPAC Name: 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
• SMILES: Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCOCC(F)(F)COC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCOCC(F)(F)COC5CNC5)C4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C43H42F2N6O8.C30H34F2N4O4.C13H9FN2O4/c1-49-35-11-12-46-20-34(35)31-6-3-25(15-37(31)49)26-4-10-39(47-19-26)59-29-17-28(18-29)57-14-2-13-56-23-43(44,45)24-58-30-21-50(22-30)27-5-7-32-33(16-27)42(55)51(41(32)54)36-8-9-38(52)48-40(36)53;1-36-27-7-8-33-17-26(27)25-5-3-20(11-28(25)36)21-4-6-29(35-14-21)40-23-12-22(13-23)38-10-2-9-37-18-30(31,32)19-39-24-15-34-16-24;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h3-7,10-12,15-16,19-20,28-30,36H,2,8-9,13-14,17-18,21-24H2,1H3,(H,48,52,53);3-8,11,14,17,22-24,34H,2,9-10,12-13,15-16,18-19H2,1H3;1-2,5,9H,3-4H2,(H,15,17,18)
• InChIKey: XOGGCHCOONZXML-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 317.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.68
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', '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 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The IUPAC name of 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (CID 167695296) is 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.

What is the SMILES notation for 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The canonical SMILES for 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCOCC(F)(F)COC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCOCC(F)(F)COC5CNC5)C4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.

What is the InChIKey of 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The InChIKey is XOGGCHCOONZXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42F2N6O8.C30H34F2N4O4.C13H9FN2O4/c1-49-35-11-12-46-20-34(35)31-6-3-25(15-37(31)49)26-4-10-39(47-19-26)59-29-17-28(18-29)57-14-2-13-56-23-43(44,45)24-58-30-21-50(22-30)27-5-7-32-33(16-27)42(55)51(41(32)54)36-8-9-38(52)48-40(36)53;1-36-27-7-8-33-17-26(27)25-5-3-20(11-28(25)36)21-4-6-29(35-14-21)40-23-12-22(13-23)38-10-2-9-37-18-30(31,32)19-39-24-15-34-16-24;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h3-7,10-12,15-16,19-20,28-30,36H,2,8-9,13-14,17-18,21-24H2,1H3,(H,48,52,53);3-8,11,14,17,22-24,34H,2,9-10,12-13,15-16,18-19H2,1H3;1-2,5,9H,3-4H2,(H,15,17,18).

What are the key properties of 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione has a molecular weight of 1637.68 g/mol, XLogP of 10.04, 29 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[3-[3-[3-(azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 167695296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).