3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C101H102ClN21O3S5 — CID 158118061

About 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 158118061) has the molecular formula C101H102ClN21O3S5 and a molecular weight of 1853.86 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• PubChem CID: 158118061
• Molecular Formula: C101H102ClN21O3S5
• Molecular Weight: 1853.86 g/mol
• Exact Mass: 1851.68
• IUPAC Name: 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• SMILES: CCCN(C)c1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1.Cc1c(-c2cnc3ccc(NCCCCO)nn23)sc2ccc(Cl)cc12.Cc1ccc(Nc2nn3c(-c4cc5ccccc5s4)cnc3c(C)c2C)cc1C.Cc1nc2ccc(NCCCCO)nn2c1-c1cc2ccccc2s1.OCCN1CCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1
• InChI: InChI=1S/C24H22N4S.C20H21N5OS.C19H19ClN4OS.C19H20N4OS.C19H20N4S/c1-14-9-10-19(11-15(14)2)26-23-16(3)17(4)24-25-13-20(28(24)27-23)22-12-18-7-5-6-8-21(18)29-22;26-12-11-23-7-9-24(10-8-23)20-6-5-19-21-14-16(25(19)22-20)18-13-15-3-1-2-4-17(15)27-18;1-12-14-10-13(20)4-5-16(14)26-19(12)15-11-22-18-7-6-17(23-24(15)18)21-8-2-3-9-25;1-13-19(16-12-14-6-2-3-7-15(14)25-16)23-18(21-13)9-8-17(22-23)20-10-4-5-11-24;1-4-11-22(3)18-10-9-17-20-13(2)19(23(17)21-18)16-12-14-7-5-6-8-15(14)24-16/h5-13H,1-4H3,(H,26,27);1-6,13-14,26H,7-12H2;4-7,10-11,25H,2-3,8-9H2,1H3,(H,21,23);2-3,6-9,12,24H,4-5,10-11H2,1H3,(H,20,22);5-10,12H,4,11H2,1-3H3
• InChIKey: FRGMXNKGSDZHGJ-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 257.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.86
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 158118061) is 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCCN(C)c1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1.Cc1c(-c2cnc3ccc(NCCCCO)nn23)sc2ccc(Cl)cc12.Cc1ccc(Nc2nn3c(-c4cc5ccccc5s4)cnc3c(C)c2C)cc1C.Cc1nc2ccc(NCCCCO)nn2c1-c1cc2ccccc2s1.OCCN1CCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1.

What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The InChIKey is FRGMXNKGSDZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S.C20H21N5OS.C19H19ClN4OS.C19H20N4OS.C19H20N4S/c1-14-9-10-19(11-15(14)2)26-23-16(3)17(4)24-25-13-20(28(24)27-23)22-12-18-7-5-6-8-21(18)29-22;26-12-11-23-7-9-24(10-8-23)20-6-5-19-21-14-16(25(19)22-20)18-13-15-3-1-2-4-17(15)27-18;1-12-14-10-13(20)4-5-16(14)26-19(12)15-11-22-18-7-6-17(23-24(15)18)21-8-2-3-9-25;1-13-19(16-12-14-6-2-3-7-15(14)25-16)23-18(21-13)9-8-17(22-23)20-10-4-5-11-24;1-4-11-22(3)18-10-9-17-20-13(2)19(23(17)21-18)16-12-14-7-5-6-8-15(14)24-16/h5-13H,1-4H3,(H,26,27);1-6,13-14,26H,7-12H2;4-7,10-11,25H,2-3,8-9H2,1H3,(H,21,23);2-3,6-9,12,24H,4-5,10-11H2,1H3,(H,20,22);5-10,12H,4,11H2,1-3H3.

What are the key properties of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 1853.86 g/mol, XLogP of 22.94, 23 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 158118061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).