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

C23H15F7N6O3 — CID 142581005

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 142581005) has the molecular formula C23H15F7N6O3 and a molecular weight of 556.40 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 142581005
• Molecular Formula: C23H15F7N6O3
• Molecular Weight: 556.40 g/mol
• Exact Mass: 556.11
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(C(F)(F)F)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1
• InChI: InChI=1S/C23H15F7N6O3/c1-11(37)33-18-10-36-19(34-18)5-4-17(35-36)13-7-15(20(31-9-13)22(25,26)27)21(38)32-8-12-6-14(2-3-16(12)24)39-23(28,29)30/h2-7,9-10H,8H2,1H3,(H,32,38)(H,33,37)
• InChIKey: FZCDDBYFKVLHKA-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.40
LogP ≤ 5	4.74
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-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 142581005) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

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

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C(F)(F)F)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1.

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

The InChIKey is FZCDDBYFKVLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N6O3/c1-11(37)33-18-10-36-19(34-18)5-4-17(35-36)13-7-15(20(31-9-13)22(25,26)27)21(38)32-8-12-6-14(2-3-16(12)24)39-23(28,29)30/h2-7,9-10H,8H2,1H3,(H,32,38)(H,33,37).

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 556.40 g/mol, XLogP of 4.74, 6 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-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142581005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).