5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C₃₀H₃₂F₂N₆O₄ — CID 155074303

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074303) has the molecular formula C₃₀H₃₂F₂N₆O₄ and a molecular weight of 578.62 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074303
• Molecular Formula: C₃₀H₃₂F₂N₆O₄
• Molecular Weight: 578.62 g/mol
• Exact Mass: 578.25
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CC(C)OC(C)C4)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C30H32F2N6O4/c1-15-8-22(9-16(2)41-15)42-29-20(10-21(31)11-25(29)32)13-33-30(40)24-12-23(17(3)34-18(24)4)26-6-7-28-36-27(35-19(5)39)14-38(28)37-26/h6-7,10-12,14-16,22H,8-9,13H2,1-5H3,(H,33,40)(H,35,39)
• InChIKey: VCVFWYJWLBCPSL-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.62
LogP ≤ 5	4.91
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-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074303) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CC(C)OC(C)C4)c(C)nc3C)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is VCVFWYJWLBCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O4/c1-15-8-22(9-16(2)41-15)42-29-20(10-21(31)11-25(29)32)13-33-30(40)24-12-23(17(3)34-18(24)4)26-6-7-28-36-27(35-19(5)39)14-38(28)37-26/h6-7,10-12,14-16,22H,8-9,13H2,1-5H3,(H,33,40)(H,35,39).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 578.62 g/mol, XLogP of 4.91, 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-[[2-(2,6-dimethyloxan-4-yl)oxy-3,5-difluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155074303 — identifiers, structure, computed properties (public domain)

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