3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C115H130N20O4S5 — CID 157300128

About 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 157300128) has the molecular formula C115H130N20O4S5 and a molecular weight of 2016.78 g/mol. Its IUPAC name is 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• PubChem CID: 157300128
• Molecular Formula: C115H130N20O4S5
• Molecular Weight: 2016.78 g/mol
• Exact Mass: 2014.92
• IUPAC Name: 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• SMILES: Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(C)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCC(C)(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCCC(O)C5)nn34)sc2cc1C.Cc1cc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c(C)c1C
• InChI: InChI=1S/C24H28N4S.3C23H26N4OS.C22H24N4OS/c1-15-5-7-19(8-6-15)27(4)24-10-9-23-25-14-20(28(23)26-24)22-13-18-11-16(2)17(3)12-21(18)29-22;1-14-10-16-12-21(29-20(16)11-15(14)2)19-13-24-22-8-9-23(25-27(19)22)26(3)17-4-6-18(28)7-5-17;1-13-10-20-18(15(3)14(13)2)11-21(29-20)19-12-24-23-9-8-22(26-27(19)23)25-16-4-6-17(28)7-5-16;1-14-10-16-12-20(29-19(16)11-15(14)2)18-13-24-22-5-4-21(26-27(18)22)25-17-6-8-23(3,28)9-7-17;1-13-8-15-10-20(28-19(15)9-14(13)2)18-12-23-22-7-6-21(25-26(18)22)24-16-4-3-5-17(27)11-16/h9-15,19H,5-8H2,1-4H3;8-13,17-18,28H,4-7H2,1-3H3;8-12,16-17,28H,4-7H2,1-3H3,(H,25,26);4-5,10-13,17,28H,6-9H2,1-3H3,(H,25,26);6-10,12,16-17,27H,3-5,11H2,1-2H3,(H,24,25)
• InChIKey: BBULOTDAHONKFW-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 274.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2016.78
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The IUPAC name of 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 157300128) is 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(C)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCC(C)(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCCC(O)C5)nn34)sc2cc1C.Cc1cc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c(C)c1C.

What is the InChIKey of 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The InChIKey is BBULOTDAHONKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4S.3C23H26N4OS.C22H24N4OS/c1-15-5-7-19(8-6-15)27(4)24-10-9-23-25-14-20(28(23)26-24)22-13-18-11-16(2)17(3)12-21(18)29-22;1-14-10-16-12-21(29-20(16)11-15(14)2)19-13-24-22-8-9-23(25-27(19)22)26(3)17-4-6-18(28)7-5-17;1-13-10-20-18(15(3)14(13)2)11-21(29-20)19-12-24-23-9-8-22(26-27(19)23)25-16-4-6-17(28)7-5-16;1-14-10-16-12-20(29-19(16)11-15(14)2)18-13-24-22-5-4-21(26-27(18)22)25-17-6-8-23(3,28)9-7-17;1-13-8-15-10-20(28-19(15)9-14(13)2)18-12-23-22-7-6-21(25-26(18)22)24-16-4-3-5-17(27)11-16/h9-15,19H,5-8H2,1-4H3;8-13,17-18,28H,4-7H2,1-3H3;8-12,16-17,28H,4-7H2,1-3H3,(H,25,26);4-5,10-13,17,28H,6-9H2,1-3H3,(H,25,26);6-10,12,16-17,27H,3-5,11H2,1-2H3,(H,24,25).

What are the key properties of 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 2016.78 g/mol, XLogP of 26.74, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(4,5,6-trimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157300128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).