4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C53H59BBrCl2F6N11O6 — CID 160522592

About 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 160522592) has the molecular formula C53H59BBrCl2F6N11O6 and a molecular weight of 1221.74 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• PubChem CID: 160522592
• Molecular Formula: C53H59BBrCl2F6N11O6
• Molecular Weight: 1221.74 g/mol
• Exact Mass: 1219.32
• IUPAC Name: 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• SMILES: C.C.Cc1cccc(B(O)O)c1.Clc1ccc2ncc(Br)n2n1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
• InChI: InChI=1S/C19H19F3N4O2.C13H7ClF3N3O.C7H9BO2.C6H3BrClN3.C6H13NO.2CH4/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-18-9-8-17(25-26(16)18)24-13-4-6-14(27)7-5-13;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;7-5-1-3-6(8)4-2-5;;/h1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-7H;2-5,9-10H,1H3;1-3H;5-6,8H,1-4,7H2;2*1H4
• InChIKey: QULXTUXFXGPIEW-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 228.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1221.74
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The IUPAC name of 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 160522592) is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is C.C.Cc1cccc(B(O)O)c1.Clc1ccc2ncc(Br)n2n1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.

What is the InChIKey of 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The InChIKey is QULXTUXFXGPIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C13H7ClF3N3O.C7H9BO2.C6H3BrClN3.C6H13NO.2CH4/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-18-9-8-17(25-26(16)18)24-13-4-6-14(27)7-5-13;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;7-5-1-3-6(8)4-2-5;;/h1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-7H;2-5,9-10H,1H3;1-3H;5-6,8H,1-4,7H2;2*1H4.

What are the key properties of 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 1221.74 g/mol, XLogP of 11.30, 7 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 160522592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).