2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride

C72H80BrCl3F9N15O3 — CID 159841631

About 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride

2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride (PubChem CID 159841631) has the molecular formula C72H80BrCl3F9N15O3 and a molecular weight of 1560.78 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride.

Molecular Properties

• Compound Name: 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride
• PubChem CID: 159841631
• Molecular Formula: C72H80BrCl3F9N15O3
• Molecular Weight: 1560.78 g/mol
• Exact Mass: 1557.47
• IUPAC Name: 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride
• SMILES: CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.Cl.Clc1ccc2ncc(Br)n2n1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1
• InChI: InChI=1S/2C22H25F3N4O.C13H7ClF3N3.C9H19NO.C6H3BrClN3.ClH/c2*1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7;7-4-3-9-6-2-1-5(8)10-11(4)6;/h2*3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);1-7H;7-8,11H,3-6,10H2,1-2H3;1-3H;1H
• InChIKey: SSWGGBZCRXRLJA-UHFFFAOYSA-N
• XLogP: 18.22
• TPSA: 231.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1560.78
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride?

The IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride (CID 159841631) is 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride.

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

The canonical SMILES for 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride is CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.Cl.Clc1ccc2ncc(Br)n2n1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1.

What is the InChIKey of 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride?

The InChIKey is SSWGGBZCRXRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25F3N4O.C13H7ClF3N3.C9H19NO.C6H3BrClN3.ClH/c2*1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7;7-4-3-9-6-2-1-5(8)10-11(4)6;/h2*3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);1-7H;7-8,11H,3-6,10H2,1-2H3;1-3H;1H.

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

2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride has a molecular weight of 1560.78 g/mol, XLogP of 18.22, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride is sourced from PubChem (CID 159841631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).