2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C25H23F3N4O3 — CID 118389852

About 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118389852) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 118389852
• Molecular Formula: C25H23F3N4O3
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.17
• IUPAC Name: 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4ccc(C(F)(F)F)cc42)C3=O)cn1
• InChI: InChI=1S/C25H23F3N4O3/c1-15-12-31(14-29-15)19-5-6-20-22(33)30(8-9-32(20)23(19)34)13-16-11-24(2,3)35-21-7-4-17(10-18(16)21)25(26,27)28/h4-7,10-12,14H,8-9,13H2,1-3H3
• InChIKey: SIQJUJBSEDNWPI-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118389852) is 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

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

The canonical SMILES for 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4ccc(C(F)(F)F)cc42)C3=O)cn1.

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

The InChIKey is SIQJUJBSEDNWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-15-12-31(14-29-15)19-5-6-20-22(33)30(8-9-32(20)23(19)34)13-16-11-24(2,3)35-21-7-4-17(10-18(16)21)25(26,27)28/h4-7,10-12,14H,8-9,13H2,1-3H3.

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

2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 484.48 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118389852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).