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

C26H21F4N7O4 — CID 154697468

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

5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 154697468) has the molecular formula C26H21F4N7O4 and a molecular weight of 571.49 g/mol. Its IUPAC name is 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 154697468
• Molecular Formula: C26H21F4N7O4
• Molecular Weight: 571.49 g/mol
• Exact Mass: 571.16
• IUPAC Name: 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(=O)C(C)(C)C#N)cn3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C26H21F4N7O4/c1-25(2,13-31)24(39)35-20-12-37-21(34-20)7-6-19(36-37)15-9-17(23(40-3)33-11-15)22(38)32-10-14-8-16(4-5-18(14)27)41-26(28,29)30/h4-9,11-12H,10H2,1-3H3,(H,32,38)(H,35,39)
• InChIKey: SVRQZYPFHZKADN-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 143.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.49
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 154697468) is 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

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

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

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

The InChIKey is SVRQZYPFHZKADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N7O4/c1-25(2,13-31)24(39)35-20-12-37-21(34-20)7-6-19(36-37)15-9-17(23(40-3)33-11-15)22(38)32-10-14-8-16(4-5-18(14)27)41-26(28,29)30/h4-9,11-12H,10H2,1-3H3,(H,32,38)(H,35,39).

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

5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 571.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154697468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).