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

C24H23F3N4O3 — CID 90074221

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

7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90074221) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 90074221
• Molecular Formula: C24H23F3N4O3
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.17
• IUPAC Name: 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4cccc(C(F)(F)F)c4)O2)C3=O)cn1
• InChI: InChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-6-7-20-22(32)29(9-10-31(20)23(19)33)13-18-5-8-21(34-18)16-3-2-4-17(11-16)24(25,26)27/h2-4,6-7,11-12,14,18,21H,5,8-10,13H2,1H3/t18-,21+/m0/s1
• InChIKey: SGDBAFKBNMPELW-GHTZIAJQSA-N
• XLogP: 3.74
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90074221) is 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

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

The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4cccc(C(F)(F)F)c4)O2)C3=O)cn1.

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

The InChIKey is SGDBAFKBNMPELW-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-6-7-20-22(32)29(9-10-31(20)23(19)33)13-18-5-8-21(34-18)16-3-2-4-17(11-16)24(25,26)27/h2-4,6-7,11-12,14,18,21H,5,8-10,13H2,1H3/t18-,21+/m0/s1.

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

7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 472.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90074221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).