4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane

C86H114BBrN14O8Si2 — CID 159371991

About 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane

4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane (PubChem CID 159371991) has the molecular formula C86H114BBrN14O8Si2 and a molecular weight of 1618.84 g/mol. Its IUPAC name is 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane.

Molecular Properties

• Compound Name: 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
• PubChem CID: 159371991
• Molecular Formula: C86H114BBrN14O8Si2
• Molecular Weight: 1618.84 g/mol
• Exact Mass: 1616.78
• IUPAC Name: 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
• SMILES: CC1(C)OB(C=CCO[Si](C)(C)C(C)(C)C)OC1(C)C.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(Br)nc4)C3)c2)c(N)nn1.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(C=CCO[Si](C)(C)C(C)(C)C)nc4)C3)c2)c(N)nn1
• InChI: InChI=1S/C40H51N7O3Si.C31H32BrN7O2.C15H31BO3Si/c1-27-10-7-8-12-35(27)36-23-37(39(41)45-44-36)46-25-30-14-15-31(26-46)47(30)29-17-18-42-38(20-29)50-34-21-33(22-34)49-32-16-13-28(43-24-32)11-9-19-48-51(5,6)40(2,3)4;1-19-4-2-3-5-26(19)27-15-28(31(33)37-36-27)38-17-21-6-7-22(18-38)39(21)20-10-11-34-30(12-20)41-25-13-24(14-25)40-23-8-9-29(32)35-16-23;1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h7-13,16-18,20,23-24,30-31,33-34H,14-15,19,21-22,25-26H2,1-6H3,(H2,41,45);2-5,8-12,15-16,21-22,24-25H,6-7,13-14,17-18H2,1H3,(H2,33,37);10-11H,12H2,1-9H3
• InChIKey: LJWACLJMYJTXMC-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 241.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.84
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?

The IUPAC name of 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane (CID 159371991) is 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane.

What is the SMILES notation for 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?

The canonical SMILES for 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane is CC1(C)OB(C=CCO[Si](C)(C)C(C)(C)C)OC1(C)C.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(Br)nc4)C3)c2)c(N)nn1.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(C=CCO[Si](C)(C)C(C)(C)C)nc4)C3)c2)c(N)nn1.

What is the InChIKey of 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?

The InChIKey is LJWACLJMYJTXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H51N7O3Si.C31H32BrN7O2.C15H31BO3Si/c1-27-10-7-8-12-35(27)36-23-37(39(41)45-44-36)46-25-30-14-15-31(26-46)47(30)29-17-18-42-38(20-29)50-34-21-33(22-34)49-32-16-13-28(43-24-32)11-9-19-48-51(5,6)40(2,3)4;1-19-4-2-3-5-26(19)27-15-28(31(33)37-36-27)38-17-21-6-7-22(18-38)39(21)20-10-11-34-30(12-20)41-25-13-24(14-25)40-23-8-9-29(32)35-16-23;1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h7-13,16-18,20,23-24,30-31,33-34H,14-15,19,21-22,25-26H2,1-6H3,(H2,41,45);2-5,8-12,15-16,21-22,24-25H,6-7,13-14,17-18H2,1H3,(H2,33,37);10-11H,12H2,1-9H3.

What are the key properties of 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane?

4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane has a molecular weight of 1618.84 g/mol, XLogP of 17.33, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[2-[3-[(6-bromo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;4-[8-[2-[3-[[6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-pyridinyl]oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane is sourced from PubChem (CID 159371991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).