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

C29H30F2N6O4 — CID 155074148

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074148) has the molecular formula C29H30F2N6O4 and a molecular weight of 564.59 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]-2,6-dimethylpyridine-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]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074148
• Molecular Formula: C29H30F2N6O4
• Molecular Weight: 564.59 g/mol
• Exact Mass: 564.23
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CCOC(C)C4)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C29H30F2N6O4/c1-15-9-21(7-8-40-15)41-28-19(10-20(30)11-24(28)31)13-32-29(39)23-12-22(16(2)33-17(23)3)25-5-6-27-35-26(34-18(4)38)14-37(27)36-25/h5-6,10-12,14-15,21H,7-9,13H2,1-4H3,(H,32,39)(H,34,38)
• InChIKey: FLULSTUPQRCWIP-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.59
LogP ≤ 5	4.52
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]-2,6-dimethylpyridine-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]-2,6-dimethylpyridine-3-carboxamide (CID 155074148) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-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]-2,6-dimethylpyridine-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]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CCOC(C)C4)c(C)nc3C)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]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is FLULSTUPQRCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O4/c1-15-9-21(7-8-40-15)41-28-19(10-20(30)11-24(28)31)13-32-29(39)23-12-22(16(2)33-17(23)3)25-5-6-27-35-26(34-18(4)38)14-37(27)36-25/h5-6,10-12,14-15,21H,7-9,13H2,1-4H3,(H,32,39)(H,34,38).

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]-2,6-dimethylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 564.59 g/mol, XLogP of 4.52, 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]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).