(3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C23H18F4N4O3 — CID 118555648

About (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

(3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118555648) has the molecular formula C23H18F4N4O3 and a molecular weight of 474.41 g/mol. Its IUPAC name is (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 118555648
• Molecular Formula: C23H18F4N4O3
• Molecular Weight: 474.41 g/mol
• Exact Mass: 474.13
• IUPAC Name: (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(Cc2coc4cc(C(F)(F)F)c(F)cc24)C3=O)cn1
• InChI: InChI=1S/C23H18F4N4O3/c1-12-7-29(11-28-12)18-3-4-19-22(33)30(13(2)8-31(19)21(18)32)9-14-10-34-20-6-16(23(25,26)27)17(24)5-15(14)20/h3-7,10-11,13H,8-9H2,1-2H3/t13-/m1/s1
• InChIKey: GMJBMXRRXIRVDB-CYBMUJFWSA-N
• XLogP: 4.29
• TPSA: 73.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.41
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The IUPAC name of (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118555648) is (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

What is the SMILES notation for (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The canonical SMILES for (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(Cc2coc4cc(C(F)(F)F)c(F)cc24)C3=O)cn1.

What is the InChIKey of (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is GMJBMXRRXIRVDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H18F4N4O3/c1-12-7-29(11-28-12)18-3-4-19-22(33)30(13(2)8-31(19)21(18)32)9-14-10-34-20-6-16(23(25,26)27)17(24)5-15(14)20/h3-7,10-11,13H,8-9H2,1-2H3/t13-/m1/s1.

What are the key properties of (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

(3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 474.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-[[5-fluoro-6-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118555648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).