N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide

C26H20FN5O — CID 59759575

About N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 59759575) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
• PubChem CID: 59759575
• Molecular Formula: C26H20FN5O
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
• SMILES: Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3C)c2)ccc1F
• InChI: InChI=1S/C26H20FN5O/c1-16-6-3-4-7-20(16)26(33)30-22-15-19(11-13-28-22)25-24(18-9-10-21(27)17(2)14-18)31-23-8-5-12-29-32(23)25/h3-15H,1-2H3,(H,28,30,33)
• InChIKey: HQYDNVTVHFNCHL-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide (CID 59759575) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide.

What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3C)c2)ccc1F.

What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The InChIKey is HQYDNVTVHFNCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-16-6-3-4-7-20(16)26(33)30-22-15-19(11-13-28-22)25-24(18-9-10-21(27)17(2)14-18)31-23-8-5-12-29-32(23)25/h3-15H,1-2H3,(H,28,30,33).

What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 437.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 59759575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).