magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide

C73H56Cl2F4IMgN19O6 — CID 172934186

About magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide

magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide (PubChem CID 172934186) has the molecular formula C73H56Cl2F4IMgN19O6 and a molecular weight of 1593.48 g/mol. Its IUPAC name is magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide.

Molecular Properties

• Compound Name: magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide
• PubChem CID: 172934186
• Molecular Formula: C73H56Cl2F4IMgN19O6
• Molecular Weight: 1593.48 g/mol
• Exact Mass: 1591.29
• IUPAC Name: magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide
• SMILES: C/C(=N\NC(N)=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1.CC(=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1.CC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.O=C(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.[CH3-].[I-].[Mg+2]
• InChI: InChI=1S/C20H18FN7O2.C19H15FN4O2.C17H12ClFN4O.C16H8ClFN4O.CH3.HI.Mg/c1-11(25-26-19(22)29)15-5-6-18-24-10-17(28(18)27-15)20(2,30)13-8-12-4-3-7-23-16(12)9-14(13)21;1-11(25)15-5-6-18-22-10-17(24(18)23-15)19(2,26)13-8-12-4-3-7-21-16(12)9-14(13)20;1-17(24,14-9-21-16-5-4-15(18)22-23(14)16)11-7-10-3-2-6-20-13(10)8-12(11)19;17-14-3-4-15-20-8-13(22(15)21-14)16(23)10-6-9-2-1-5-19-12(9)7-11(10)18;;;/h3-10,30H,1-2H3,(H3,22,26,29);3-10,26H,1-2H3;2-9,24H,1H3;1-8H;1H3;1H;/q;;;;-1;;+2/p-1/b25-11+
• InChIKey: HUAASWWXIWQZNY-ZFWBFNCGSA-M
• XLogP: 8.64
• TPSA: 334.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.48
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide?

The IUPAC name of magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide (CID 172934186) is magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide.

What is the SMILES notation for magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide?

The canonical SMILES for magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide is C/C(=N\NC(N)=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1.CC(=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1.CC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.O=C(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.[CH3-].[I-].[Mg+2].

What is the InChIKey of magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide?

The InChIKey is HUAASWWXIWQZNY-ZFWBFNCGSA-M. The full InChI is InChI=1S/C20H18FN7O2.C19H15FN4O2.C17H12ClFN4O.C16H8ClFN4O.CH3.HI.Mg/c1-11(25-26-19(22)29)15-5-6-18-24-10-17(28(18)27-15)20(2,30)13-8-12-4-3-7-23-16(12)9-14(13)21;1-11(25)15-5-6-18-22-10-17(24(18)23-15)19(2,26)13-8-12-4-3-7-21-16(12)9-14(13)20;1-17(24,14-9-21-16-5-4-15(18)22-23(14)16)11-7-10-3-2-6-20-13(10)8-12(11)19;17-14-3-4-15-20-8-13(22(15)21-14)16(23)10-6-9-2-1-5-19-12(9)7-11(10)18;;;/h3-10,30H,1-2H3,(H3,22,26,29);3-10,26H,1-2H3;2-9,24H,1H3;1-8H;1H3;1H;/q;;;;-1;;+2/p-1/b25-11+;;;;;;.

What are the key properties of magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide?

magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide has a molecular weight of 1593.48 g/mol, XLogP of 8.64, 11 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea;iodide is sourced from PubChem (CID 172934186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).