tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine

C80H104BrN9O12 — CID 167540710

About tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine

tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine (PubChem CID 167540710) has the molecular formula C80H104BrN9O12 and a molecular weight of 1463.67 g/mol. Its IUPAC name is tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine
• PubChem CID: 167540710
• Molecular Formula: C80H104BrN9O12
• Molecular Weight: 1463.67 g/mol
• Exact Mass: 1461.70
• IUPAC Name: tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine
• SMILES: CC(C)(C)OC(=O)N1CC(OCCC2CC(CCOC3CC(Oc4ccc(Br)cn4)C3)C2)C1.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCC5CC(CCOC6CN(C(=O)OC(C)(C)C)C6)C5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(N3OC(C)(C)C(C)(C)O3)cc21
• InChI: InChI=1S/C37H46N4O5.C25H37BrN2O5.C18H21N3O2/c1-37(2,3)46-36(42)41-22-30(23-41)44-14-11-25-15-24(16-25)10-13-43-28-18-29(19-28)45-35-8-6-27(20-39-35)26-5-7-31-32-21-38-12-9-33(32)40(4)34(31)17-26;1-25(2,3)33-24(29)28-15-22(16-28)31-9-7-18-10-17(11-18)6-8-30-20-12-21(13-20)32-23-5-4-19(26)14-27-23;1-17(2)18(3,4)23-21(22-17)12-6-7-13-14-11-19-9-8-15(14)20(5)16(13)10-12/h5-9,12,17,20-21,24-25,28-30H,10-11,13-16,18-19,22-23H2,1-4H3;4-5,14,17-18,20-22H,6-13,15-16H2,1-3H3;6-11H,1-5H3
• InChIKey: BDQXITRKTXXOTR-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 197.58 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.67
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine?

The IUPAC name of tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine (CID 167540710) is tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine.

What is the SMILES notation for tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine?

The canonical SMILES for tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine is CC(C)(C)OC(=O)N1CC(OCCC2CC(CCOC3CC(Oc4ccc(Br)cn4)C3)C2)C1.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCC5CC(CCOC6CN(C(=O)OC(C)(C)C)C6)C5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(N3OC(C)(C)C(C)(C)O3)cc21.

What is the InChIKey of tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine?

The InChIKey is BDQXITRKTXXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4O5.C25H37BrN2O5.C18H21N3O2/c1-37(2,3)46-36(42)41-22-30(23-41)44-14-11-25-15-24(16-25)10-13-43-28-18-29(19-28)45-35-8-6-27(20-39-35)26-5-7-31-32-21-38-12-9-33(32)40(4)34(31)17-26;1-25(2,3)33-24(29)28-15-22(16-28)31-9-7-18-10-17(11-18)6-8-30-20-12-21(13-20)32-23-5-4-19(26)14-27-23;1-17(2)18(3,4)23-21(22-17)12-6-7-13-14-11-19-9-8-15(14)20(5)16(13)10-12/h5-9,12,17,20-21,24-25,28-30H,10-11,13-16,18-19,22-23H2,1-4H3;4-5,14,17-18,20-22H,6-13,15-16H2,1-3H3;6-11H,1-5H3.

What are the key properties of tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine?

tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine has a molecular weight of 1463.67 g/mol, XLogP of 16.34, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine is sourced from PubChem (CID 167540710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).