6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol

C68H83ClF6N9O4P — CID 159569736

About 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol

6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol (PubChem CID 159569736) has the molecular formula C68H83ClF6N9O4P and a molecular weight of 1270.89 g/mol. Its IUPAC name is 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol.

Molecular Properties

• Compound Name: 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol
• PubChem CID: 159569736
• Molecular Formula: C68H83ClF6N9O4P
• Molecular Weight: 1270.89 g/mol
• Exact Mass: 1269.59
• IUPAC Name: 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol
• SMILES: CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CO)CC1.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1OCC1CCN(C)CC1
• InChI: InChI=1S/C26H36NP.C21H23F3N4O2.C14H9ClF3N3O.C7H15NO/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-14-10-19-25-12-18(16-4-3-5-17(11-16)30-21(22,23)24)28(19)26-20(14)29-13-15-6-8-27(2)9-7-15;1-8-5-12-19-7-11(21(12)20-13(8)15)9-3-2-4-10(6-9)22-14(16,17)18;1-8-4-2-7(6-9)3-5-8/h9-12,17-22H,3-8,13-16H2,1-2H3;3-5,10-12,15H,6-9,13H2,1-2H3;2-7H,1H3;7,9H,2-6H2,1H3
• InChIKey: MHQXATSFCPWXRV-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 118.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.89
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol?

The IUPAC name of 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol (CID 159569736) is 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol.

What is the SMILES notation for 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol?

The canonical SMILES for 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol is CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CO)CC1.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1OCC1CCN(C)CC1.

What is the InChIKey of 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol?

The InChIKey is MHQXATSFCPWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C21H23F3N4O2.C14H9ClF3N3O.C7H15NO/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-14-10-19-25-12-18(16-4-3-5-17(11-16)30-21(22,23)24)28(19)26-20(14)29-13-15-6-8-27(2)9-7-15;1-8-5-12-19-7-11(21(12)20-13(8)15)9-3-2-4-10(6-9)22-14(16,17)18;1-8-4-2-7(6-9)3-5-8/h9-12,17-22H,3-8,13-16H2,1-2H3;3-5,10-12,15H,6-9,13H2,1-2H3;2-7H,1H3;7,9H,2-6H2,1H3.

What are the key properties of 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol?

6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol has a molecular weight of 1270.89 g/mol, XLogP of 16.09, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 159569736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).