N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

C25H24FN7O2 — CID 118545286

About N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118545286) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 118545286
• Molecular Formula: C25H24FN7O2
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
• SMILES: Cc1cc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)no1
• InChI: InChI=1S/C25H24FN7O2/c1-15-11-18(31-35-15)12-32-14-27-22(16-5-7-17(26)8-6-16)23(32)19-9-10-21-28-20(13-33(21)30-19)29-24(34)25(2,3)4/h5-11,13-14H,12H2,1-4H3,(H,29,34)
• InChIKey: XAUGGVVKRYKLPX-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 103.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118545286) is N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is Cc1cc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)no1.

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

The InChIKey is XAUGGVVKRYKLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-15-11-18(31-35-15)12-32-14-27-22(16-5-7-17(26)8-6-16)23(32)19-9-10-21-28-20(13-33(21)30-19)29-24(34)25(2,3)4/h5-11,13-14H,12H2,1-4H3,(H,29,34).

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

N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 473.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118545286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).