N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid

C122H110F2N20O2S — CID 157341300

About N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid

N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid (PubChem CID 157341300) has the molecular formula C122H110F2N20O2S and a molecular weight of 1958.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid
• PubChem CID: 157341300
• Molecular Formula: C122H110F2N20O2S
• Molecular Weight: 1958.42 g/mol
• Exact Mass: 1956.88
• IUPAC Name: N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid
• SMILES: C.C.C.C.Cc1ccc(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4ccc5cc(F)ccc5c4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)cc1C.Cc1ccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)ccc2c1.O=C(O)c1cccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)c1
• InChI: InChI=1S/C25H22N4.C24H19FN4.C24H20N4.C23H16N4O2.C22H17FN4S.4CH4/c1-16-4-6-20-14-21(8-7-19(20)12-16)23-15-26-25-11-10-24(28-29(23)25)27-22-9-5-17(2)18(3)13-22;1-15-3-8-21(11-16(15)2)27-23-9-10-24-26-14-22(29(24)28-23)19-5-4-18-13-20(25)7-6-17(18)12-19;1-16-7-10-21(13-17(16)2)26-23-11-12-24-25-15-22(28(24)27-23)20-9-8-18-5-3-4-6-19(18)14-20;28-23(29)18-6-3-7-19(13-18)25-21-10-11-22-24-14-20(27(22)26-21)17-9-8-15-4-1-2-5-16(15)12-17;1-13-3-5-17(9-14(13)2)25-21-7-8-22-24-12-18(27(22)26-21)20-11-15-10-16(23)4-6-19(15)28-20;;;;/h4-15H,1-3H3,(H,27,28);3-14H,1-2H3,(H,27,28);3-15H,1-2H3,(H,26,27);1-14H,(H,25,26)(H,28,29);3-12H,1-2H3,(H,25,26);4*1H4
• InChIKey: BGKUXSAOIWOLFW-UHFFFAOYSA-N
• XLogP: 31.82
• TPSA: 248.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.42
LogP ≤ 5	31.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid?

The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid (CID 157341300) is N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid.

What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid?

The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid is C.C.C.C.Cc1ccc(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4ccc5cc(F)ccc5c4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)cc1C.Cc1ccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)ccc2c1.O=C(O)c1cccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid?

The InChIKey is BGKUXSAOIWOLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4.C24H19FN4.C24H20N4.C23H16N4O2.C22H17FN4S.4CH4/c1-16-4-6-20-14-21(8-7-19(20)12-16)23-15-26-25-11-10-24(28-29(23)25)27-22-9-5-17(2)18(3)13-22;1-15-3-8-21(11-16(15)2)27-23-9-10-24-26-14-22(29(24)28-23)19-5-4-18-13-20(25)7-6-17(18)12-19;1-16-7-10-21(13-17(16)2)26-23-11-12-24-25-15-22(28(24)27-23)20-9-8-18-5-3-4-6-19(18)14-20;28-23(29)18-6-3-7-19(13-18)25-21-10-11-22-24-14-20(27(22)26-21)17-9-8-15-4-1-2-5-16(15)12-17;1-13-3-5-17(9-14(13)2)25-21-7-8-22-24-12-18(27(22)26-21)20-11-15-10-16(23)4-6-19(15)28-20;;;;/h4-15H,1-3H3,(H,27,28);3-14H,1-2H3,(H,27,28);3-15H,1-2H3,(H,26,27);1-14H,(H,25,26)(H,28,29);3-12H,1-2H3,(H,25,26);4*1H4.

What are the key properties of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid?

N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid has a molecular weight of 1958.42 g/mol, XLogP of 31.82, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid is sourced from PubChem (CID 157341300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).