5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C25H23F3N6O4 — CID 165437122

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 165437122) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• PubChem CID: 165437122
• Molecular Formula: C25H23F3N6O4
• Molecular Weight: 528.49 g/mol
• Exact Mass: 528.17
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N[C@@H](C)c1ccccc1OC(F)(F)F
• InChI: InChI=1S/C25H23F3N6O4/c1-13(16-7-5-6-8-20(16)38-25(26,27)28)29-23(36)18-11-17(14(2)30-24(18)37-4)19-9-10-22-32-21(31-15(3)35)12-34(22)33-19/h5-13H,1-4H3,(H,29,36)(H,31,35)/t13-/m0/s1
• InChIKey: CXYFKSXFYQFGMV-ZDUSSCGKSA-N
• XLogP: 4.46
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.49
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 165437122) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N[C@@H](C)c1ccccc1OC(F)(F)F.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The InChIKey is CXYFKSXFYQFGMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c1-13(16-7-5-6-8-20(16)38-25(26,27)28)29-23(36)18-11-17(14(2)30-24(18)37-4)19-9-10-22-32-21(31-15(3)35)12-34(22)33-19/h5-13H,1-4H3,(H,29,36)(H,31,35)/t13-/m0/s1.

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 528.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 165437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).