6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C85H57Cl3F5N23O4 — CID 172950188

About 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 172950188) has the molecular formula C85H57Cl3F5N23O4 and a molecular weight of 1671.93 g/mol. Its IUPAC name is 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

• Compound Name: 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• PubChem CID: 172950188
• Molecular Formula: C85H57Cl3F5N23O4
• Molecular Weight: 1671.93 g/mol
• Exact Mass: 1669.43
• IUPAC Name: 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• SMILES: O=C(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.OC(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(/C(C)=N/NC(N)=O)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(C(C)=O)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12
• InChI: InChI=1S/C19H16FN7O.C18H13FN4O.C16H10ClFN4O.C16H8ClFN4O.C16H10ClFN4/c1-11(24-25-19(21)28)16-4-5-18-23-10-14(27(18)26-16)8-13-7-12-3-2-6-22-17(12)9-15(13)20;1-11(24)16-4-5-18-21-10-14(23(18)22-16)8-13-7-12-3-2-6-20-17(12)9-15(13)19;2*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;17-15-3-4-16-20-9-12(22(16)21-15)7-11-6-10-2-1-5-19-14(10)8-13(11)18/h2-7,9-10H,8H2,1H3,(H3,21,25,28);2-7,9-10H,8H2,1H3;1-8,16,23H;1-8H;1-6,8-9H,7H2/b24-11+;;;;/i2*8D2;;;7D2
• InChIKey: OEJFKAVLHMNRJJ-YLQOGENJSA-N
• XLogP: 15.72
• TPSA: 337.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.93
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

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-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The IUPAC name of 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 172950188) is 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

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

The canonical SMILES for 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is O=C(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.OC(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(/C(C)=N/NC(N)=O)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(C(C)=O)nn12.[2H]C([2H])(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.

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

The InChIKey is OEJFKAVLHMNRJJ-YLQOGENJSA-N. The full InChI is InChI=1S/C19H16FN7O.C18H13FN4O.C16H10ClFN4O.C16H8ClFN4O.C16H10ClFN4/c1-11(24-25-19(21)28)16-4-5-18-23-10-14(27(18)26-16)8-13-7-12-3-2-6-22-17(12)9-15(13)20;1-11(24)16-4-5-18-21-10-14(23(18)22-16)8-13-7-12-3-2-6-20-17(12)9-15(13)19;2*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;17-15-3-4-16-20-9-12(22(16)21-15)7-11-6-10-2-1-5-19-14(10)8-13(11)18/h2-7,9-10H,8H2,1H3,(H3,21,25,28);2-7,9-10H,8H2,1H3;1-8,16,23H;1-8H;1-6,8-9H,7H2/b24-11+;;;;/i2*8D2;;;7D2.

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

6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 1671.93 g/mol, XLogP of 15.72, 13 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)-dideuteriomethyl]-7-fluoroquinoline;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanone;1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[dideuterio-(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).