2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione

C46H46N8O7 — CID 165371099

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione (PubChem CID 165371099) has the molecular formula C46H46N8O7 and a molecular weight of 822.92 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165371099
• Molecular Formula: C46H46N8O7
• Molecular Weight: 822.92 g/mol
• Exact Mass: 822.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione
• SMILES: Cn1c2ccncc2c2ccc(-c3ccc(OC4CC5(C4)CN(C(=O)CN4CCC(OC6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC4)C5)nc3)cc21
• InChI: InChI=1S/C46H46N8O7/c1-50-37-10-13-47-21-36(37)33-5-2-27(16-39(33)50)28-3-9-41(48-20-28)61-31-18-46(19-31)25-53(26-46)42(56)24-51-14-11-30(12-15-51)60-32-22-52(23-32)29-4-6-34-35(17-29)45(59)54(44(34)58)38-7-8-40(55)49-43(38)57/h2-6,9-10,13,16-17,20-21,30-32,38H,7-8,11-12,14-15,18-19,22-26H2,1H3,(H,49,55,57)
• InChIKey: QAAXATHIRFFZJM-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 159.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.92
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione (CID 165371099) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3ccc(OC4CC5(C4)CN(C(=O)CN4CCC(OC6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC4)C5)nc3)cc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione?

The InChIKey is QAAXATHIRFFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N8O7/c1-50-37-10-13-47-21-36(37)33-5-2-27(16-39(33)50)28-3-9-41(48-20-28)61-31-18-46(19-31)25-53(26-46)42(56)24-51-14-11-30(12-15-51)60-32-22-52(23-32)29-4-6-34-35(17-29)45(59)54(44(34)58)38-7-8-40(55)49-43(38)57/h2-6,9-10,13,16-17,20-21,30-32,38H,7-8,11-12,14-15,18-19,22-26H2,1H3,(H,49,55,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione has a molecular weight of 822.92 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]oxyazetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165371099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).