N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide

C25H22F4N6O5 — CID 154697474

About N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide

N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 154697474) has the molecular formula C25H22F4N6O5 and a molecular weight of 562.48 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 154697474
• Molecular Formula: C25H22F4N6O5
• Molecular Weight: 562.48 g/mol
• Exact Mass: 562.16
• IUPAC Name: N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(=O)C(C)(C)O)cn3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C25H22F4N6O5/c1-24(2,38)23(37)33-19-12-35-20(32-19)7-6-18(34-35)14-9-16(22(39-3)31-11-14)21(36)30-10-13-8-15(4-5-17(13)26)40-25(27,28)29/h4-9,11-12,38H,10H2,1-3H3,(H,30,36)(H,33,37)
• InChIKey: BZCIXWQENGYAOK-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide (CID 154697474) is N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(=O)C(C)(C)O)cn3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.

What is the InChIKey of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide?

The InChIKey is BZCIXWQENGYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O5/c1-24(2,38)23(37)33-19-12-35-20(32-19)7-6-18(34-35)14-9-16(22(39-3)31-11-14)21(36)30-10-13-8-15(4-5-17(13)26)40-25(27,28)29/h4-9,11-12,38H,10H2,1-3H3,(H,30,36)(H,33,37).

What are the key properties of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide?

N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 562.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-[2-[(2-hydroxy-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154697474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).