2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

C83H68Cl3F10N27O7 — CID 172944202

About 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (PubChem CID 172944202) has the molecular formula C83H68Cl3F10N27O7 and a molecular weight of 1851.98 g/mol. Its IUPAC name is 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

• Compound Name: 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
• PubChem CID: 172944202
• Molecular Formula: C83H68Cl3F10N27O7
• Molecular Weight: 1851.98 g/mol
• Exact Mass: 1849.47
• IUPAC Name: 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
• SMILES: C/C(=N\OCCO)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.CC(=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.Cn1cnc2c(F)cc(F)cc21.Cn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)c(Cc3cnc4ccc(Cl)nn34)c(F)cc21.NOCCO.O=Cc1cnc2ccc(Cl)nn12
• InChI: InChI=1S/C19H18F2N6O2.C17H13F2N5O.C15H10ClF2N5O.C15H10ClF2N5.C8H6F2N2.C7H4ClN3O.C2H7NO2/c1-11(25-29-6-5-28)16-3-4-18-22-9-12(27(18)24-16)7-13-15(20)8-17-14(19(13)21)10-23-26(17)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;1-12-4-11-8-6(10)2-5(9)3-7(8)12;8-6-1-2-7-9-3-5(4-12)11(7)10-6;3-5-2-1-4/h3-4,8-10,28H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3;2-6,15,24H,1H3;2-3,5-7H,4H2,1H3;2-4H,1H3;1-4H;4H,1-3H2/b25-11+
• InChIKey: HKWIYTSTGXFWLV-ZFWBFNCGSA-N
• XLogP: 12.59
• TPSA: 391.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.98
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The IUPAC name of 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (CID 172944202) is 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

What is the SMILES notation for 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The canonical SMILES for 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is C/C(=N\OCCO)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.CC(=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1.Cn1cnc2c(F)cc(F)cc21.Cn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2c(F)c(Cc3cnc4ccc(Cl)nn34)c(F)cc21.NOCCO.O=Cc1cnc2ccc(Cl)nn12.

What is the InChIKey of 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The InChIKey is HKWIYTSTGXFWLV-ZFWBFNCGSA-N. The full InChI is InChI=1S/C19H18F2N6O2.C17H13F2N5O.C15H10ClF2N5O.C15H10ClF2N5.C8H6F2N2.C7H4ClN3O.C2H7NO2/c1-11(25-29-6-5-28)16-3-4-18-22-9-12(27(18)24-16)7-13-15(20)8-17-14(19(13)21)10-23-26(17)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;1-12-4-11-8-6(10)2-5(9)3-7(8)12;8-6-1-2-7-9-3-5(4-12)11(7)10-6;3-5-2-1-4/h3-4,8-10,28H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3;2-6,15,24H,1H3;2-3,5-7H,4H2,1H3;2-4H,1H3;1-4H;4H,1-3H2/b25-11+;;;;;;.

What are the key properties of 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 1851.98 g/mol, XLogP of 12.59, 16 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminooxyethanol;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-methylbenzimidazole;1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 172944202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).