4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C49H48BBrCl4N12O4 — CID 157105769

About 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 157105769) has the molecular formula C49H48BBrCl4N12O4 and a molecular weight of 1101.53 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)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;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• PubChem CID: 157105769
• Molecular Formula: C49H48BBrCl4N12O4
• Molecular Weight: 1101.53 g/mol
• Exact Mass: 1098.20
• IUPAC Name: 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• SMILES: Clc1ccc2ncc(Br)n2n1.N#Cc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OB(O)c1cccc(Cl)c1.OC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
• InChI: InChI=1S/C18H19ClN4O.C13H7ClN4.C6H6BClO2.C6H3BrClN3.C6H13NO/c19-13-3-1-2-12(10-13)16-11-20-18-9-8-17(22-23(16)18)21-14-4-6-15(24)7-5-14;14-12-4-5-13-16-8-11(18(13)17-12)10-3-1-2-9(6-10)7-15;8-6-3-1-2-5(4-6)7(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-3-6(8)4-2-5/h1-3,8-11,14-15,24H,4-7H2,(H,21,22);1-6,8H;1-4,9-10H;1-3H;5-6,8H,1-4,7H2
• InChIKey: AGHADURXCQZZFM-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 233.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1101.53
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)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;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 157105769) is 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)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;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)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;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Clc1ccc2ncc(Br)n2n1.N#Cc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(O)CC1.OB(O)c1cccc(Cl)c1.OC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.

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

The InChIKey is AGHADURXCQZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O.C13H7ClN4.C6H6BClO2.C6H3BrClN3.C6H13NO/c19-13-3-1-2-12(10-13)16-11-20-18-9-8-17(22-23(16)18)21-14-4-6-15(24)7-5-14;14-12-4-5-13-16-8-11(18(13)17-12)10-3-1-2-9(6-10)7-15;8-6-3-1-2-5(4-6)7(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-3-6(8)4-2-5/h1-3,8-11,14-15,24H,4-7H2,(H,21,22);1-6,8H;1-4,9-10H;1-3H;5-6,8H,1-4,7H2.

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

4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 1101.53 g/mol, XLogP of 9.10, 5 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzonitrile;(3-chlorophenyl)boronic acid;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157105769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).