3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C93H93BBrCl2F12N16O8P — CID 158628451

About 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 158628451) has the molecular formula C93H93BBrCl2F12N16O8P and a molecular weight of 1983.44 g/mol. Its IUPAC name is 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• PubChem CID: 158628451
• Molecular Formula: C93H93BBrCl2F12N16O8P
• Molecular Weight: 1983.44 g/mol
• Exact Mass: 1980.56
• IUPAC Name: 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• SMILES: CCC(CO)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CCCCO.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(B(O)O)c1.Clc1ccc2ncc(Br)n2n1.FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.N#N
• InChI: InChI=1S/C26H36NP.C20H11F6N3O2.C17H17F3N4O2.C13H7ClF3N3O.C7H9BO2.C6H3BrClN3.C4H10O.N2/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;21-19(22,23)30-14-5-1-3-12(9-14)16-7-8-18-27-11-17(29(18)28-16)13-4-2-6-15(10-13)31-20(24,25)26;1-2-12(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-13(8-11)26-17(18,19)20;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-6-3-2-4-7(5-6)8(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6;1-2-3-4-5;1-2/h9-12,17-22H,3-8,13-16H2,1-2H3;1-11H;3-9,12,25H,2,10H2,1H3,(H,22,23);1-7H;2-5,9-10H,1H3;1-3H;5H,2-4H2,1H3
• InChIKey: HYWSSUAPKBSFIT-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 301.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.44
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The IUPAC name of 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 158628451) is 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

What is the SMILES notation for 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The canonical SMILES for 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CCCCO.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(B(O)O)c1.Clc1ccc2ncc(Br)n2n1.FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.N#N.

What is the InChIKey of 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The InChIKey is HYWSSUAPKBSFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C20H11F6N3O2.C17H17F3N4O2.C13H7ClF3N3O.C7H9BO2.C6H3BrClN3.C4H10O.N2/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;21-19(22,23)30-14-5-1-3-12(9-14)16-7-8-18-27-11-17(29(18)28-16)13-4-2-6-15(10-13)31-20(24,25)26;1-2-12(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-13(8-11)26-17(18,19)20;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-6-3-2-4-7(5-6)8(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6;1-2-3-4-5;1-2/h9-12,17-22H,3-8,13-16H2,1-2H3;1-11H;3-9,12,25H,2,10H2,1H3,(H,22,23);1-7H;2-5,9-10H,1H3;1-3H;5H,2-4H2,1H3;.

What are the key properties of 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 1983.44 g/mol, XLogP of 23.11, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-bromo-6-chloroimidazo[1,2-b]pyridazine;butan-1-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(3-methylphenyl)boronic acid;molecular nitrogen;2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 158628451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).