2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione

C45H47N7O7 — CID 134492773

About 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione (PubChem CID 134492773) has the molecular formula C45H47N7O7 and a molecular weight of 797.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione
• PubChem CID: 134492773
• Molecular Formula: C45H47N7O7
• Molecular Weight: 797.91 g/mol
• Exact Mass: 797.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione
• SMILES: CN(C1CCN(C(=O)CCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1CC(Oc2ccc(-c3ccc4c5cnccc5n(C)c4c3)cn2)C1
• InChI: InChI=1S/C45H47N7O7/c1-49(30-22-32(23-30)59-41-13-7-28(25-47-41)27-6-9-33-36-26-46-17-14-37(36)50(2)39(33)21-27)29-15-18-51(19-16-29)42(54)5-3-4-20-58-31-8-10-34-35(24-31)45(57)52(44(34)56)38-11-12-40(53)48-43(38)55/h6-10,13-14,17,21,24-26,29-30,32,38H,3-5,11-12,15-16,18-20,22-23H2,1-2H3,(H,48,53,55)
• InChIKey: DPQRUOXORLRXGD-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 156.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.91
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione (CID 134492773) is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione is CN(C1CCN(C(=O)CCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1CC(Oc2ccc(-c3ccc4c5cnccc5n(C)c4c3)cn2)C1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione?

The InChIKey is DPQRUOXORLRXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N7O7/c1-49(30-22-32(23-30)59-41-13-7-28(25-47-41)27-6-9-33-36-26-46-17-14-37(36)50(2)39(33)21-27)29-15-18-51(19-16-29)42(54)5-3-4-20-58-31-8-10-34-35(24-31)45(57)52(44(34)56)38-11-12-40(53)48-43(38)55/h6-10,13-14,17,21,24-26,29-30,32,38H,3-5,11-12,15-16,18-20,22-23H2,1-2H3,(H,48,53,55).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione has a molecular weight of 797.91 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione is sourced from PubChem (CID 134492773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).