3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid

C24H24F4N4O6 — CID 154998193

About 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid

3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 154998193) has the molecular formula C24H24F4N4O6 and a molecular weight of 540.47 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998193
• Molecular Formula: C24H24F4N4O6
• Molecular Weight: 540.47 g/mol
• Exact Mass: 540.16
• IUPAC Name: 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid
• SMILES: COc1c(F)cccc1C(=O)Nc1cn2cc(C34CCC(C)(C3)OC4)nc2c(OC)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23FN4O4.C2HF3O2/c1-21-7-8-22(11-21,12-31-21)15-9-27-10-16(26-20(30-3)18(27)24-15)25-19(28)13-5-4-6-14(23)17(13)29-2;3-2(4,5)1(6)7/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,25,28);(H,6,7)
• InChIKey: OGZAWGMREAIWDW-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 124.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.47
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid (CID 154998193) is 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid is COc1c(F)cccc1C(=O)Nc1cn2cc(C34CCC(C)(C3)OC4)nc2c(OC)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is OGZAWGMREAIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4.C2HF3O2/c1-21-7-8-22(11-21,12-31-21)15-9-27-10-16(26-20(30-3)18(27)24-15)25-19(28)13-5-4-6-14(23)17(13)29-2;3-2(4,5)1(6)7/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,25,28);(H,6,7).

What are the key properties of 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid?

3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 540.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).