3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C113H110N22O2S3 — CID 158726045

About 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 158726045) has the molecular formula C113H110N22O2S3 and a molecular weight of 1904.48 g/mol. Its IUPAC name is 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• PubChem CID: 158726045
• Molecular Formula: C113H110N22O2S3
• Molecular Weight: 1904.48 g/mol
• Exact Mass: 1902.83
• IUPAC Name: 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• SMILES: Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1
• InChI: InChI=1S/C24H23N5.2C23H20N4S.C22H25N5O.C21H22N4OS/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h5-14H,1-4H3,(H,26,27);2*4-13H,1-3H3,(H,25,26);3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);2,7-12,15-16,26H,3-6H2,1H3,(H,23,24)
• InChIKey: IKNAGLAXCDHUTO-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 261.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.48
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The IUPAC name of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 158726045) is 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1.

What is the InChIKey of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The InChIKey is IKNAGLAXCDHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5.2C23H20N4S.C22H25N5O.C21H22N4OS/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h5-14H,1-4H3,(H,26,27);2*4-13H,1-3H3,(H,25,26);3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);2,7-12,15-16,26H,3-6H2,1H3,(H,23,24).

What are the key properties of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 1904.48 g/mol, XLogP of 26.66, 15 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158726045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).