5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C25H22F4N6O3 — CID 155074191

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074191) has the molecular formula C25H22F4N6O3 and a molecular weight of 530.48 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074191
• Molecular Formula: C25H22F4N6O3
• Molecular Weight: 530.48 g/mol
• Exact Mass: 530.17
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)ccc4OCC(F)(F)F)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C25H22F4N6O3/c1-13-18(20-5-7-23-33-22(32-15(3)36)11-35(23)34-20)9-19(14(2)31-13)24(37)30-10-16-8-17(26)4-6-21(16)38-12-25(27,28)29/h4-9,11H,10,12H2,1-3H3,(H,30,37)(H,32,36)
• InChIKey: RMHXPKYBSVLRDA-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074191) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)ccc4OCC(F)(F)F)c(C)nc3C)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is RMHXPKYBSVLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O3/c1-13-18(20-5-7-23-33-22(32-15(3)36)11-35(23)34-20)9-19(14(2)31-13)24(37)30-10-16-8-17(26)4-6-21(16)38-12-25(27,28)29/h4-9,11H,10,12H2,1-3H3,(H,30,37)(H,32,36).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 530.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).