2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione

C43H38N6O7 — CID 134481353

About 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione (PubChem CID 134481353) has the molecular formula C43H38N6O7 and a molecular weight of 750.81 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione
• PubChem CID: 134481353
• Molecular Formula: C43H38N6O7
• Molecular Weight: 750.81 g/mol
• Exact Mass: 750.28
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)cn4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C43H38N6O7/c50-39-13-12-38(41(51)48-39)49-42(52)33-11-9-28(21-34(33)43(49)53)54-17-3-1-2-4-27-7-8-29(23-45-27)55-30-19-31(20-30)56-40-14-6-26(22-46-40)25-5-10-32-35-24-44-16-15-36(35)47-37(32)18-25/h5-11,14-16,18,21-24,30-31,38,47H,1-4,12-13,17,19-20H2,(H,48,50,51)
• InChIKey: FQZSDYFGUSEVQL-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 165.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.81
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione (CID 134481353) is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)cn4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione?

The InChIKey is FQZSDYFGUSEVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N6O7/c50-39-13-12-38(41(51)48-39)49-42(52)33-11-9-28(21-34(33)43(49)53)54-17-3-1-2-4-27-7-8-29(23-45-27)55-30-19-31(20-30)56-40-14-6-26(22-46-40)25-5-10-32-35-24-44-16-15-36(35)47-37(32)18-25/h5-11,14-16,18,21-24,30-31,38,47H,1-4,12-13,17,19-20H2,(H,48,50,51).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione has a molecular weight of 750.81 g/mol, XLogP of 6.35, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione is sourced from PubChem (CID 134481353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).