2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C26H25F3N4O4 — CID 118389896

About 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118389896) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 118389896
• Molecular Formula: C26H25F3N4O4
• Molecular Weight: 514.50 g/mol
• Exact Mass: 514.18
• IUPAC Name: 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2C(C)(C)Oc2ccc(OC(F)(F)F)cc24)C3=O)cn1
• InChI: InChI=1S/C26H25F3N4O4/c1-15-12-32(14-30-15)18-5-6-19-22(34)31(8-9-33(19)23(18)35)13-25-11-21(25)24(2,3)37-20-7-4-16(10-17(20)25)36-26(27,28)29/h4-7,10,12,14,21H,8-9,11,13H2,1-3H3/t21-,25-/m1/s1
• InChIKey: ORLKJYBPSXUASX-PXDATVDWSA-N
• XLogP: 3.83
• TPSA: 78.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.50
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118389896) is 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

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

The canonical SMILES for 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2C(C)(C)Oc2ccc(OC(F)(F)F)cc24)C3=O)cn1.

What is the InChIKey of 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is ORLKJYBPSXUASX-PXDATVDWSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c1-15-12-32(14-30-15)18-5-6-19-22(34)31(8-9-33(19)23(18)35)13-25-11-21(25)24(2,3)37-20-7-4-16(10-17(20)25)36-26(27,28)29/h4-7,10,12,14,21H,8-9,11,13H2,1-3H3/t21-,25-/m1/s1.

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

2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 514.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).