6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C73H57Cl2F4N19O3 — CID 172934014

About 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 172934014) has the molecular formula C73H57Cl2F4N19O3 and a molecular weight of 1395.29 g/mol. Its IUPAC name is 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

• Compound Name: 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• PubChem CID: 172934014
• Molecular Formula: C73H57Cl2F4N19O3
• Molecular Weight: 1395.29 g/mol
• Exact Mass: 1393.42
• IUPAC Name: 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• SMILES: C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1.CC(=O)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1.CC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.CC(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12
• InChI: InChI=1S/C20H18FN7O.C19H15FN4O.C17H12ClFN4O.C17H12ClFN4/c1-11(14-8-13-4-3-7-23-17(13)9-15(14)21)18-10-24-19-6-5-16(27-28(18)19)12(2)25-26-20(22)29;1-11(14-8-13-4-3-7-21-17(13)9-15(14)20)18-10-22-19-6-5-16(12(2)25)23-24(18)19;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;1-10(15-9-21-17-5-4-16(18)22-23(15)17)12-7-11-3-2-6-20-14(11)8-13(12)19/h3-11H,1-2H3,(H3,22,26,29);3-11H,1-2H3;2-9,24H,1H3;2-10H,1H3/b25-12+
• InChIKey: QJVRYOMWOJDPNA-TWGDSQCXSA-N
• XLogP: 14.28
• TPSA: 277.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.29
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 172934014) is 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

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

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

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

The InChIKey is QJVRYOMWOJDPNA-TWGDSQCXSA-N. The full InChI is InChI=1S/C20H18FN7O.C19H15FN4O.C17H12ClFN4O.C17H12ClFN4/c1-11(14-8-13-4-3-7-23-17(13)9-15(14)21)18-10-24-19-6-5-16(27-28(18)19)12(2)25-26-20(22)29;1-11(14-8-13-4-3-7-21-17(13)9-15(14)20)18-10-22-19-6-5-16(12(2)25)23-24(18)19;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;1-10(15-9-21-17-5-4-16(18)22-23(15)17)12-7-11-3-2-6-20-14(11)8-13(12)19/h3-11H,1-2H3,(H3,22,26,29);3-11H,1-2H3;2-9,24H,1H3;2-10H,1H3/b25-12+;;;.

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

6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 1395.29 g/mol, XLogP of 14.28, 11 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethyl]-7-fluoroquinoline;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol;1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).