N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide

C24H20F4N6O4 — CID 155074268

About N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide

N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide (PubChem CID 155074268) has the molecular formula C24H20F4N6O4 and a molecular weight of 532.45 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide
• PubChem CID: 155074268
• Molecular Formula: C24H20F4N6O4
• Molecular Weight: 532.45 g/mol
• Exact Mass: 532.15
• IUPAC Name: N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(-c2ccc3nc(NC(=O)CO)cn3n2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C24H20F4N6O4/c1-12-17(23(37)30-13(2)16-8-15(3-4-18(16)25)38-24(26,27)28)7-14(9-29-12)19-5-6-21-31-20(10-34(21)33-19)32-22(36)11-35/h3-10,13,35H,11H2,1-2H3,(H,30,37)(H,32,36)
• InChIKey: RREJSMUUFSWOAZ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 130.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.45
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide (CID 155074268) is N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccc3nc(NC(=O)CO)cn3n2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.

What is the InChIKey of N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide?

The InChIKey is RREJSMUUFSWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O4/c1-12-17(23(37)30-13(2)16-8-15(3-4-18(16)25)38-24(26,27)28)7-14(9-29-12)19-5-6-21-31-20(10-34(21)33-19)32-22(36)11-35/h3-10,13,35H,11H2,1-2H3,(H,30,37)(H,32,36).

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

N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 532.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).