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

C66H79ClF6N9O4P — CID 158218669

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

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 158218669) has the molecular formula C66H79ClF6N9O4P and a molecular weight of 1242.83 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• PubChem CID: 158218669
• Molecular Formula: C66H79ClF6N9O4P
• Molecular Weight: 1242.83 g/mol
• Exact Mass: 1241.56
• IUPAC Name: 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• SMILES: CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CO)CC1.CN1CCC(COc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
• InChI: InChI=1S/C26H36NP.C20H21F3N4O2.C13H7ClF3N3O.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;1-26-9-7-14(8-10-26)13-28-19-6-5-18-24-12-17(27(18)25-19)15-3-2-4-16(11-15)29-20(21,22)23;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-8-4-2-7(6-9)3-5-8/h9-12,17-22H,3-8,13-16H2,1-2H3;2-6,11-12,14H,7-10,13H2,1H3;1-7H;7,9H,2-6H2,1H3
• InChIKey: GCYZUGAECHCDHM-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 118.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.83
LogP ≤ 5	15.48
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-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 158218669) is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

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

The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CO)CC1.CN1CCC(COc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.

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

The InChIKey is GCYZUGAECHCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C20H21F3N4O2.C13H7ClF3N3O.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;1-26-9-7-14(8-10-26)13-28-19-6-5-18-24-12-17(27(18)25-19)15-3-2-4-16(11-15)29-20(21,22)23;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-8-4-2-7(6-9)3-5-8/h9-12,17-22H,3-8,13-16H2,1-2H3;2-6,11-12,14H,7-10,13H2,1H3;1-7H;7,9H,2-6H2,1H3.

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

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 1242.83 g/mol, XLogP of 15.48, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-methylpiperidin-4-yl)methanol;6-[(1-methylpiperidin-4-yl)methoxy]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158218669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).