6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

C44H40ClF3N10O2 — CID 144734781

About 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 144734781) has the molecular formula C44H40ClF3N10O2 and a molecular weight of 833.32 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
• PubChem CID: 144734781
• Molecular Formula: C44H40ClF3N10O2
• Molecular Weight: 833.32 g/mol
• Exact Mass: 832.30
• IUPAC Name: 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
• SMILES: CC.Cc1cc(C)nc(NC(=O)c2cnc3c(C)c(C)c(-c4ccccc4Cl)nn23)c1.Cc1cncc(C(=O)Nc2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)c1
• InChI: InChI=1S/C22H20ClN5O.C20H14F3N5O.C2H6/c1-12-9-13(2)25-19(10-12)26-22(29)18-11-24-21-15(4)14(3)20(27-28(18)21)16-7-5-6-8-17(16)23;1-12-8-13(10-24-9-12)19(29)26-18-11-25-17-7-6-16(27-28(17)18)14-4-2-3-5-15(14)20(21,22)23;1-2/h5-11H,1-4H3,(H,25,26,29);2-11H,1H3,(H,26,29);1-2H3
• InChIKey: CYXSYBLJFUTMEC-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 144.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.32
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (CID 144734781) is 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is CC.Cc1cc(C)nc(NC(=O)c2cnc3c(C)c(C)c(-c4ccccc4Cl)nn23)c1.Cc1cncc(C(=O)Nc2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)c1.

What is the InChIKey of 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?

The InChIKey is CYXSYBLJFUTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O.C20H14F3N5O.C2H6/c1-12-9-13(2)25-19(10-12)26-22(29)18-11-24-21-15(4)14(3)20(27-28(18)21)16-7-5-6-8-17(16)23;1-12-8-13(10-24-9-12)19(29)26-18-11-25-17-7-6-16(27-28(17)18)14-4-2-3-5-15(14)20(21,22)23;1-2/h5-11H,1-4H3,(H,25,26,29);2-11H,1H3,(H,26,29);1-2H3.

What are the key properties of 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?

6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 833.32 g/mol, XLogP of 10.33, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 144734781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).