5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide

C27H27FN6O5 — CID 155074072

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074072) has the molecular formula C27H27FN6O5 and a molecular weight of 534.55 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 155074072
• Molecular Formula: C27H27FN6O5
• Molecular Weight: 534.55 g/mol
• Exact Mass: 534.20
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)cccc1OC1CCOCC1
• InChI: InChI=1S/C27H27FN6O5/c1-16(35)31-24-15-34-25(32-24)7-6-22(33-34)17-12-19(27(37-2)30-13-17)26(36)29-14-20-21(28)4-3-5-23(20)39-18-8-10-38-11-9-18/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,29,36)(H,31,35)
• InChIKey: IREKEWQZJHAVIN-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 128.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.55
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074072) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)cccc1OC1CCOCC1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is IREKEWQZJHAVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O5/c1-16(35)31-24-15-34-25(32-24)7-6-22(33-34)17-12-19(27(37-2)30-13-17)26(36)29-14-20-21(28)4-3-5-23(20)39-18-8-10-38-11-9-18/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,29,36)(H,31,35).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-6-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).