2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide

C55H67F6N13O6S2 — CID 159271204

About 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide

2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide (PubChem CID 159271204) has the molecular formula C55H67F6N13O6S2 and a molecular weight of 1184.35 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

• Compound Name: 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
• PubChem CID: 159271204
• Molecular Formula: C55H67F6N13O6S2
• Molecular Weight: 1184.35 g/mol
• Exact Mass: 1183.47
• IUPAC Name: 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
• SMILES: Cc1c(Cc2c(CN3CCC4(CCS4(=O)=O)C3)nc3c(/N=C/N(C)C)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.Cc1c(Cc2c(CN3CCC4(CCS4(=O)=O)C3)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
• InChI: InChI=1S/C29H36F3N7O3S.C26H31F3N6O3S/c1-20-21(5-4-6-22(20)29(30,31)32)15-25-24(17-37-9-7-28(18-37)8-14-43(28,40)41)34-27-23(33-19-36(2)3)16-26(35-39(25)27)38-10-12-42-13-11-38;1-17-18(3-2-4-19(17)26(27,28)29)13-22-21(15-33-7-5-25(16-33)6-12-39(25,36)37)31-24-20(30)14-23(32-35(22)24)34-8-10-38-11-9-34/h4-6,16,19H,7-15,17-18H2,1-3H3;2-4,14H,5-13,15-16,30H2,1H3/b33-19+
• InChIKey: KXSWZJYTAJTMLB-GKMOJYNQSA-N
• XLogP: 6.30
• TPSA: 201.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.35
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?

The IUPAC name of 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide (CID 159271204) is 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide.

What is the SMILES notation for 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?

The canonical SMILES for 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide is Cc1c(Cc2c(CN3CCC4(CCS4(=O)=O)C3)nc3c(/N=C/N(C)C)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.Cc1c(Cc2c(CN3CCC4(CCS4(=O)=O)C3)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.

What is the InChIKey of 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?

The InChIKey is KXSWZJYTAJTMLB-GKMOJYNQSA-N. The full InChI is InChI=1S/C29H36F3N7O3S.C26H31F3N6O3S/c1-20-21(5-4-6-22(20)29(30,31)32)15-25-24(17-37-9-7-28(18-37)8-14-43(28,40)41)34-27-23(33-19-36(2)3)16-26(35-39(25)27)38-10-12-42-13-11-38;1-17-18(3-2-4-19(17)26(27,28)29)13-22-21(15-33-7-5-25(16-33)6-12-39(25,36)37)31-24-20(30)14-23(32-35(22)24)34-8-10-38-11-9-34/h4-6,16,19H,7-15,17-18H2,1-3H3;2-4,14H,5-13,15-16,30H2,1H3/b33-19+;.

What are the key properties of 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?

2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide has a molecular weight of 1184.35 g/mol, XLogP of 6.30, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(1,1-dioxo-1λ6-thia-7-azaspiro[3.4]octan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 159271204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).