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

C70H68BBrCl3F12N15O5 — CID 162086663

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

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride (PubChem CID 162086663) has the molecular formula C70H68BBrCl3F12N15O5 and a molecular weight of 1624.46 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride.

Molecular Properties

• Compound Name: 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride
• PubChem CID: 162086663
• Molecular Formula: C70H68BBrCl3F12N15O5
• Molecular Weight: 1624.46 g/mol
• Exact Mass: 1621.37
• IUPAC Name: 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride
• SMILES: Cl.Clc1ccc2ncc(Br)n2n1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OB(O)c1cccc(C(F)(F)F)c1.OC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.OC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
• InChI: InChI=1S/2C19H19F3N4O.C13H7ClF3N3.C7H6BF3O2.C6H3BrClN3.C6H13NO.ClH/c2*20-19(21,22)13-3-1-2-12(10-13)16-11-23-18-9-8-17(25-26(16)18)24-14-4-6-15(27)7-5-14;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;9-7(10,11)5-2-1-3-6(4-5)8(12)13;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-3-6(8)4-2-5;/h2*1-3,8-11,14-15,27H,4-7H2,(H,24,25);1-7H;1-4,12-13H;1-3H;5-6,8H,1-4,7H2;1H
• InChIKey: ZXLKJBBFBMGLFF-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 271.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.46
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride?

The IUPAC name of 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride (CID 162086663) is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride.

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

The canonical SMILES for 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride is Cl.Clc1ccc2ncc(Br)n2n1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OB(O)c1cccc(C(F)(F)F)c1.OC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.OC1CCC(Nc2ccc3ncc(-c4cccc(C(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-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride?

The InChIKey is ZXLKJBBFBMGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19F3N4O.C13H7ClF3N3.C7H6BF3O2.C6H3BrClN3.C6H13NO.ClH/c2*20-19(21,22)13-3-1-2-12(10-13)16-11-23-18-9-8-17(25-26(16)18)24-14-4-6-15(27)7-5-14;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;9-7(10,11)5-2-1-3-6(4-5)8(12)13;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-3-6(8)4-2-5;/h2*1-3,8-11,14-15,27H,4-7H2,(H,24,25);1-7H;1-4,12-13H;1-3H;5-6,8H,1-4,7H2;1H.

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

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride has a molecular weight of 1624.46 g/mol, XLogP of 15.53, 8 rotatable bonds, 8 hydrogen bond donors, and 20 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-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride is sourced from PubChem (CID 162086663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).