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

C25H21ClN8O2 — CID 155074207

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 155074207) has the molecular formula C25H21ClN8O2 and a molecular weight of 500.95 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
• PubChem CID: 155074207
• Molecular Formula: C25H21ClN8O2
• Molecular Weight: 500.95 g/mol
• Exact Mass: 500.15
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(Cl)cc5)cn4)c3)ccc2n1
• InChI: InChI=1S/C25H21ClN8O2/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: IOLVLPOURDTQIW-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 119.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.95
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-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (CID 155074207) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)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-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?

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

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

The InChIKey is IOLVLPOURDTQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O2/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-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 500.95 g/mol, XLogP of 4.21, 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-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).