N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide

C46H45N7O7 — CID 142364736

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide (PubChem CID 142364736) has the molecular formula C46H45N7O7 and a molecular weight of 807.91 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide
• PubChem CID: 142364736
• Molecular Formula: C46H45N7O7
• Molecular Weight: 807.91 g/mol
• Exact Mass: 807.34
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide
• SMILES: Cc1ccc(N2CC(OCCCc3ccc(OC4CC(Oc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)C4)cn3)C2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C46H45N7O7/c1-28-5-9-32(19-38(28)46(57)53(27-54)41-12-13-43(55)50-45(41)56)52-25-36(26-52)58-17-3-4-31-8-10-33(23-48-31)59-34-20-35(21-34)60-44-14-7-30(22-49-44)29-6-11-37-39-24-47-16-15-40(39)51(2)42(37)18-29/h5-11,14-16,18-19,22-24,27,34-36,41H,3-4,12-13,17,20-21,25-26H2,1-2H3,(H,50,55,56)
• InChIKey: CNPLMFKYUCPGRH-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 158.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.91
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide (CID 142364736) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide is Cc1ccc(N2CC(OCCCc3ccc(OC4CC(Oc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)C4)cn3)C2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide?

The InChIKey is CNPLMFKYUCPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N7O7/c1-28-5-9-32(19-38(28)46(57)53(27-54)41-12-13-43(55)50-45(41)56)52-25-36(26-52)58-17-3-4-31-8-10-33(23-48-31)59-34-20-35(21-34)60-44-14-7-30(22-49-44)29-6-11-37-39-24-47-16-15-40(39)51(2)42(37)18-29/h5-11,14-16,18-19,22-24,27,34-36,41H,3-4,12-13,17,20-21,25-26H2,1-2H3,(H,50,55,56).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide?

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide has a molecular weight of 807.91 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]propoxy]azetidin-1-yl]benzamide is sourced from PubChem (CID 142364736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).