3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol

C128H135Cl5F6N26O12S — CID 159771461

About 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol

3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol (PubChem CID 159771461) has the molecular formula C128H135Cl5F6N26O12S and a molecular weight of 2552.98 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol
• PubChem CID: 159771461
• Molecular Formula: C128H135Cl5F6N26O12S
• Molecular Weight: 2552.98 g/mol
• Exact Mass: 2548.88
• IUPAC Name: 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol
• SMILES: CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.CC(C)(O)CCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CC1(O)CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.Clc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.OCC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.OCCCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
• InChI: InChI=1S/C21H25ClN4O.2C19H21ClN4O.C18H19ClN4O2S.C18H18F3N3O3.C17H17ClN4O.C16H14F3N3O3/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14;1-19(25)9-7-15(8-10-19)22-17-5-6-18-21-12-16(24(18)23-17)13-3-2-4-14(20)11-13;20-15-3-1-2-14(10-15)17-11-21-19-9-8-18(23-24(17)19)22-16-6-4-13(12-25)5-7-16;19-15-3-1-2-14(10-15)16-12-21-18-5-4-17(22-23(16)18)20-11-13-6-8-26(24,25)9-7-13;1-17(2,25)8-9-26-16-7-6-15-22-11-14(24(15)23-16)12-4-3-5-13(10-12)27-18(19,20)21;18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14;17-16(18,19)25-12-4-1-3-11(9-12)13-10-20-14-5-6-15(21-22(13)14)24-8-2-7-23/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);2-6,11-12,15,25H,7-10H2,1H3,(H,22,23);1-3,8-11,13,16,25H,4-7,12H2,(H,22,23);1-5,10,12-13H,6-9,11H2,(H,20,22);3-7,10-11,25H,8-9H2,1-2H3;1-5,10-11,14H,6-9H2,(H,20,21);1,3-6,9-10,23H,2,7-8H2
• InChIKey: NGDXLBYAKQKJGY-UHFFFAOYSA-N
• XLogP: 26.78
• TPSA: 452.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.98
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol?

The IUPAC name of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol (CID 159771461) is 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol.

What is the SMILES notation for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol?

The canonical SMILES for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol is CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.CC(C)(O)CCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CC1(O)CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.Clc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.OCC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.OCCCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.

What is the InChIKey of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol?

The InChIKey is NGDXLBYAKQKJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O.2C19H21ClN4O.C18H19ClN4O2S.C18H18F3N3O3.C17H17ClN4O.C16H14F3N3O3/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14;1-19(25)9-7-15(8-10-19)22-17-5-6-18-21-12-16(24(18)23-17)13-3-2-4-14(20)11-13;20-15-3-1-2-14(10-15)17-11-21-19-9-8-18(23-24(17)19)22-16-6-4-13(12-25)5-7-16;19-15-3-1-2-14(10-15)16-12-21-18-5-4-17(22-23(16)18)20-11-13-6-8-26(24,25)9-7-13;1-17(2,25)8-9-26-16-7-6-15-22-11-14(24(15)23-16)12-4-3-5-13(10-12)27-18(19,20)21;18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14;17-16(18,19)25-12-4-1-3-11(9-12)13-10-20-14-5-6-15(21-22(13)14)24-8-2-7-23/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);2-6,11-12,15,25H,7-10H2,1H3,(H,22,23);1-3,8-11,13,16,25H,4-7,12H2,(H,22,23);1-5,10,12-13H,6-9,11H2,(H,20,22);3-7,10-11,25H,8-9H2,1-2H3;1-5,10-11,14H,6-9H2,(H,20,21);1,3-6,9-10,23H,2,7-8H2.

What are the key properties of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol?

3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol has a molecular weight of 2552.98 g/mol, XLogP of 26.78, 30 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol is sourced from PubChem (CID 159771461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).