5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide

C28H28F2N6O4 — CID 155074291

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074291) has the molecular formula C28H28F2N6O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 155074291
• Molecular Formula: C28H28F2N6O4
• Molecular Weight: 550.57 g/mol
• Exact Mass: 550.21
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4OC4CCOC(C)C4)c3)ccc2n1
• InChI: InChI=1S/C28H28F2N6O4/c1-15-8-21(6-7-39-15)40-27-19(9-20(29)11-23(27)30)13-32-28(38)22-10-18(12-31-16(22)2)24-4-5-26-34-25(33-17(3)37)14-36(26)35-24/h4-5,9-12,14-15,21H,6-8,13H2,1-3H3,(H,32,38)(H,33,37)
• InChIKey: LYRUIDRYFGLZED-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.57
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide (CID 155074291) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4OC4CCOC(C)C4)c3)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?

The InChIKey is LYRUIDRYFGLZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O4/c1-15-8-21(6-7-39-15)40-27-19(9-20(29)11-23(27)30)13-32-28(38)22-10-18(12-31-16(22)2)24-4-5-26-34-25(33-17(3)37)14-36(26)35-24/h4-5,9-12,14-15,21H,6-8,13H2,1-3H3,(H,32,38)(H,33,37).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 550.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).