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

C₂₅H₂₁FN₈O₂ — CID 155074122

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 155074122) has the molecular formula C₂₅H₂₁FN₈O₂ and a molecular weight of 484.50 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
• PubChem CID: 155074122
• Molecular Formula: C₂₅H₂₁FN₈O₂
• Molecular Weight: 484.50 g/mol
• Exact Mass: 484.18
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(F)cc5)cn4)c3)ccc2n1
• InChI: InChI=1S/C25H21FN8O2/c1-15-20(25(36)31-22-12-33(14-28-22)11-17-3-5-19(26)6-4-17)9-18(10-27-15)21-7-8-24-30-23(29-16(2)35)13-34(24)32-21/h3-10,12-14H,11H2,1-2H3,(H,29,35)(H,31,36)
• InChIKey: YBYXLAHIWSAKPC-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 119.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.50
LogP ≤ 5	3.69
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-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (CID 155074122) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(F)cc5)cn4)c3)ccc2n1.

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

The InChIKey is YBYXLAHIWSAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c1-15-20(25(36)31-22-12-33(14-28-22)11-17-3-5-19(26)6-4-17)9-18(10-27-15)21-7-8-24-30-23(29-16(2)35)13-34(24)32-21/h3-10,12-14H,11H2,1-2H3,(H,29,35)(H,31,36).

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 3.69, 6 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-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155074122 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.