3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine

C54H60BBrCl2F3N11O3 — CID 157429431

About 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine

3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine (PubChem CID 157429431) has the molecular formula C54H60BBrCl2F3N11O3 and a molecular weight of 1129.76 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine
• PubChem CID: 157429431
• Molecular Formula: C54H60BBrCl2F3N11O3
• Molecular Weight: 1129.76 g/mol
• Exact Mass: 1127.35
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine
• SMILES: CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.CC(C)C1CCC(N)CC1.Clc1ccc2ncc(Br)n2n1.Fc1cccc(-c2cnc3ccc(Cl)nn23)c1.OB(O)c1cccc(F)c1
• InChI: InChI=1S/C21H25FN4O.C12H7ClFN3.C9H19N.C6H6BFO2.C6H3BrClN3/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14;13-11-4-5-12-15-7-10(17(12)16-11)8-2-1-3-9(14)6-8;1-7(2)8-3-5-9(10)6-4-8;8-6-3-1-2-5(4-6)7(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);1-7H;7-9H,3-6,10H2,1-2H3;1-4,9-10H;1-3H
• InChIKey: BQIXKNGYKOEWPH-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 189.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.76
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine (CID 157429431) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine.

What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine?

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine is CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.CC(C)C1CCC(N)CC1.Clc1ccc2ncc(Br)n2n1.Fc1cccc(-c2cnc3ccc(Cl)nn23)c1.OB(O)c1cccc(F)c1.

What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine?

The InChIKey is BQIXKNGYKOEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O.C12H7ClFN3.C9H19N.C6H6BFO2.C6H3BrClN3/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14;13-11-4-5-12-15-7-10(17(12)16-11)8-2-1-3-9(14)6-8;1-7(2)8-3-5-9(10)6-4-8;8-6-3-1-2-5(4-6)7(9)10;7-4-3-9-6-2-1-5(8)10-11(4)6/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);1-7H;7-9H,3-6,10H2,1-2H3;1-4,9-10H;1-3H.

What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine?

3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine has a molecular weight of 1129.76 g/mol, XLogP of 11.28, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-(3-fluorophenyl)imidazo[1,2-b]pyridazine;(3-fluorophenyl)boronic acid;2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 157429431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).