5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide

C25H22F4N6O3 — CID 155074140

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074140) has the molecular formula C25H22F4N6O3 and a molecular weight of 531.49 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074140
• Molecular Formula: C25H22F4N6O3
• Molecular Weight: 531.49 g/mol
• Exact Mass: 531.18
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: [2H]C(C)(NC(=O)c1cc(-c2ccc3nc(NC(C)=O)cn3n2)c(C)nc1C)c1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C25H22F4N6O3/c1-12(17-9-16(5-6-20(17)26)38-25(27,28)29)31-24(37)19-10-18(13(2)30-14(19)3)21-7-8-23-33-22(32-15(4)36)11-35(23)34-21/h5-12H,1-4H3,(H,31,37)(H,32,36)/i12D
• InChIKey: YUBIWQAQTKPDEJ-UQBWLURTSA-N
• XLogP: 4.90
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.49
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074140) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide is [2H]C(C)(NC(=O)c1cc(-c2ccc3nc(NC(C)=O)cn3n2)c(C)nc1C)c1cc(OC(F)(F)F)ccc1F.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is YUBIWQAQTKPDEJ-UQBWLURTSA-N. The full InChI is InChI=1S/C25H22F4N6O3/c1-12(17-9-16(5-6-20(17)26)38-25(27,28)29)31-24(37)19-10-18(13(2)30-14(19)3)21-7-8-23-33-22(32-15(4)36)11-35(23)34-21/h5-12H,1-4H3,(H,31,37)(H,32,36)/i12D.

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 531.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).