5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C24H15F2N7O — CID 118537128

About 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118537128) has the molecular formula C24H15F2N7O and a molecular weight of 455.43 g/mol. Its IUPAC name is 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• PubChem CID: 118537128
• Molecular Formula: C24H15F2N7O
• Molecular Weight: 455.43 g/mol
• Exact Mass: 455.13
• IUPAC Name: 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• SMILES: Cn1cc(-c2ccc3nc(NC(=O)c4cc(C#N)ccc4F)cn3n2)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C24H15F2N7O/c1-32-12-18(23(31-32)15-3-5-16(25)6-4-15)20-8-9-22-28-21(13-33(22)30-20)29-24(34)17-10-14(11-27)2-7-19(17)26/h2-10,12-13H,1H3,(H,29,34)
• InChIKey: IJDLASDTQGEVCQ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 100.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.43
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The IUPAC name of 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118537128) is 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

What is the SMILES notation for 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The canonical SMILES for 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is Cn1cc(-c2ccc3nc(NC(=O)c4cc(C#N)ccc4F)cn3n2)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The InChIKey is IJDLASDTQGEVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N7O/c1-32-12-18(23(31-32)15-3-5-16(25)6-4-15)20-8-9-22-28-21(13-33(22)30-20)29-24(34)17-10-14(11-27)2-7-19(17)26/h2-10,12-13H,1H3,(H,29,34).

What are the key properties of 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 455.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118537128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).