benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

C169H257BBr2N8O32 — CID 167686990

About benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (PubChem CID 167686990) has the molecular formula C169H257BBr2N8O32 and a molecular weight of 3083.56 g/mol. Its IUPAC name is benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• PubChem CID: 167686990
• Molecular Formula: C169H257BBr2N8O32
• Molecular Weight: 3083.56 g/mol
• Exact Mass: 3079.72
• IUPAC Name: benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• SMILES: CC1CC(O)C1.CC1CC(OCC2CC(OCCOC3CN(C(=O)OCc4ccccc4)C3)C2)C1.CCCCOC1CC(C)C1.CCCCOC1CC(CC)C1.CCCCOC1CC(COC2CC(C)C2)C1.CCCCOC1CC(COC2CC(C)C2)C1.CCCCOC1CC(O)C1.CCCOC1CN(C(=O)OCc2ccccc2)C1.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.O=C(OCc1ccccc1)N1CC(OCC2CC(OCCOC3CC(O)C3)C2)C1.O=C(OCc1ccccc1)N1CC(OCCOC2CC(COC3CC(Oc4ccc(Br)cn4)C3)C2)C1.O=c1ccc(Br)c[nH]1
• InChI: InChI=1S/C27H33BrN2O6.C23H33NO5.C22H31NO6.C18H21BN2O2.C14H19NO3.2C14H26O2.C10H20O.C9H18O.C8H16O2.C5H4BrNO.C5H10O/c28-21-6-7-26(29-14-21)36-24-12-23(13-24)34-18-20-10-22(11-20)32-8-9-33-25-15-30(16-25)27(31)35-17-19-4-2-1-3-5-19;1-17-9-20(10-17)28-16-19-11-21(12-19)26-7-8-27-22-13-24(14-22)23(25)29-15-18-5-3-2-4-6-18;24-18-10-20(11-18)27-7-6-26-19-8-17(9-19)15-28-21-12-23(13-21)22(25)29-14-16-4-2-1-3-5-16;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;1-2-8-17-13-9-15(10-13)14(16)18-11-12-6-4-3-5-7-12;2*1-3-4-5-15-14-8-12(9-14)10-16-13-6-11(2)7-13;1-3-5-6-11-10-7-9(4-2)8-10;1-3-4-5-10-9-6-8(2)7-9;1-2-3-4-10-8-5-7(9)6-8;6-4-1-2-5(8)7-3-4;1-4-2-5(6)3-4/h1-7,14,20,22-25H,8-13,15-18H2;2-6,17,19-22H,7-16H2,1H3;1-5,17-21,24H,6-15H2;6-11H,1-5H3;3-7,13H,2,8-11H2,1H3;2*11-14H,3-10H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,2-6H2,1H3;1-3H,(H,7,8);4-6H,2-3H2,1H3
• InChIKey: WJAHQKVDVMMNNQ-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 427.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 65
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3083.56
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The IUPAC name of benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (CID 167686990) is benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

What is the SMILES notation for benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The canonical SMILES for benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is CC1CC(O)C1.CC1CC(OCC2CC(OCCOC3CN(C(=O)OCc4ccccc4)C3)C2)C1.CCCCOC1CC(C)C1.CCCCOC1CC(CC)C1.CCCCOC1CC(COC2CC(C)C2)C1.CCCCOC1CC(COC2CC(C)C2)C1.CCCCOC1CC(O)C1.CCCOC1CN(C(=O)OCc2ccccc2)C1.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.O=C(OCc1ccccc1)N1CC(OCC2CC(OCCOC3CC(O)C3)C2)C1.O=C(OCc1ccccc1)N1CC(OCCOC2CC(COC3CC(Oc4ccc(Br)cn4)C3)C2)C1.O=c1ccc(Br)c[nH]1.

What is the InChIKey of benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The InChIKey is WJAHQKVDVMMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33BrN2O6.C23H33NO5.C22H31NO6.C18H21BN2O2.C14H19NO3.2C14H26O2.C10H20O.C9H18O.C8H16O2.C5H4BrNO.C5H10O/c28-21-6-7-26(29-14-21)36-24-12-23(13-24)34-18-20-10-22(11-20)32-8-9-33-25-15-30(16-25)27(31)35-17-19-4-2-1-3-5-19;1-17-9-20(10-17)28-16-19-11-21(12-19)26-7-8-27-22-13-24(14-22)23(25)29-15-18-5-3-2-4-6-18;24-18-10-20(11-18)27-7-6-26-19-8-17(9-19)15-28-21-12-23(13-21)22(25)29-14-16-4-2-1-3-5-16;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;1-2-8-17-13-9-15(10-13)14(16)18-11-12-6-4-3-5-7-12;2*1-3-4-5-15-14-8-12(9-14)10-16-13-6-11(2)7-13;1-3-5-6-11-10-7-9(4-2)8-10;1-3-4-5-10-9-6-8(2)7-9;1-2-3-4-10-8-5-7(9)6-8;6-4-1-2-5(8)7-3-4;1-4-2-5(6)3-4/h1-7,14,20,22-25H,8-13,15-18H2;2-6,17,19-22H,7-16H2,1H3;1-5,17-21,24H,6-15H2;6-11H,1-5H3;3-7,13H,2,8-11H2,1H3;2*11-14H,3-10H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,2-6H2,1H3;1-3H,(H,7,8);4-6H,2-3H2,1H3.

What are the key properties of benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole has a molecular weight of 3083.56 g/mol, XLogP of 31.68, 65 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[2-[3-[[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-[[3-[2-(3-hydroxycyclobutyl)oxyethoxy]cyclobutyl]methoxy]azetidine-1-carboxylate;benzyl 3-[2-[3-[(3-methylcyclobutyl)oxymethyl]cyclobutyl]oxyethoxy]azetidine-1-carboxylate;benzyl 3-propoxyazetidine-1-carboxylate;5-bromo-1H-pyridin-2-one;3-butoxycyclobutan-1-ol;1-butoxy-3-ethylcyclobutane;1-butoxy-3-methylcyclobutane;bis(1-butoxy-3-[(3-methylcyclobutyl)oxymethyl]cyclobutane);3-methylcyclobutan-1-ol;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 167686990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).