6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C80H59Cl3F10N28O4 — CID 172938764

About 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 172938764) has the molecular formula C80H59Cl3F10N28O4 and a molecular weight of 1772.88 g/mol. Its IUPAC name is 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

• Compound Name: 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• PubChem CID: 172938764
• Molecular Formula: C80H59Cl3F10N28O4
• Molecular Weight: 1772.88 g/mol
• Exact Mass: 1770.42
• IUPAC Name: 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• SMILES: C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.CC(=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.Cn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)c(Cc3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)cc(F)cc21.O=Cc1cnc2ccc(Cl)nn12
• InChI: InChI=1S/C18H16F2N8O.C17H13F2N5O.C15H10ClF2N5O.C15H10ClF2N5.C8H6F2N2.C7H4ClN3O/c1-9(24-25-18(21)29)14-3-4-16-22-7-10(28(16)26-14)5-11-13(19)6-15-12(17(11)20)8-23-27(15)2;1-9(25)14-3-4-16-20-7-10(24(16)22-14)5-11-13(18)6-15-12(17(11)19)8-21-23(15)2;1-22-9-4-8(17)13(14(18)7(9)5-20-22)15(24)10-6-19-12-3-2-11(16)21-23(10)12;1-22-12-5-11(17)9(15(18)10(12)7-20-22)4-8-6-19-14-3-2-13(16)21-23(8)14;1-12-8-3-5(9)2-7(10)6(8)4-11-12;8-6-1-2-7-9-3-5(4-12)11(7)10-6/h3-4,6-8H,5H2,1-2H3,(H3,21,25,29);3-4,6-8H,5H2,1-2H3;2-6,15,24H,1H3;2-3,5-7H,4H2,1H3;2-4H,1H3;1-4H/b24-9+
• InChIKey: YOHDMVPCCWRCQJ-MOOCRMQPSA-N
• XLogP: 13.38
• TPSA: 361.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.88
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The IUPAC name of 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 172938764) is 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

What is the SMILES notation for 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The canonical SMILES for 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.CC(=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.Cn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)c(Cc3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)cc(F)cc21.O=Cc1cnc2ccc(Cl)nn12.

What is the InChIKey of 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The InChIKey is YOHDMVPCCWRCQJ-MOOCRMQPSA-N. The full InChI is InChI=1S/C18H16F2N8O.C17H13F2N5O.C15H10ClF2N5O.C15H10ClF2N5.C8H6F2N2.C7H4ClN3O/c1-9(24-25-18(21)29)14-3-4-16-22-7-10(28(16)26-14)5-11-13(19)6-15-12(17(11)20)8-23-27(15)2;1-9(25)14-3-4-16-20-7-10(24(16)22-14)5-11-13(18)6-15-12(17(11)19)8-21-23(15)2;1-22-9-4-8(17)13(14(18)7(9)5-20-22)15(24)10-6-19-12-3-2-11(16)21-23(10)12;1-22-12-5-11(17)9(15(18)10(12)7-20-22)4-8-6-19-14-3-2-13(16)21-23(8)14;1-12-8-3-5(9)2-7(10)6(8)4-11-12;8-6-1-2-7-9-3-5(4-12)11(7)10-6/h3-4,6-8H,5H2,1-2H3,(H3,21,25,29);3-4,6-8H,5H2,1-2H3;2-6,15,24H,1H3;2-3,5-7H,4H2,1H3;2-4H,1H3;1-4H/b24-9+;;;;;.

What are the key properties of 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 1772.88 g/mol, XLogP of 13.38, 12 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol;4,6-difluoro-1-methylindazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172938764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).