2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C27H25F3N4O3 — CID 118389855

About 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118389855) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 118389855
• Molecular Formula: C27H25F3N4O3
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.19
• IUPAC Name: 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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(CC24C[C@H]2COc2ccc(C5(C(F)(F)F)CC5)cc24)C3=O)cn1
• InChI: InChI=1S/C27H25F3N4O3/c1-16-12-33(15-31-16)20-3-4-21-23(35)32(8-9-34(21)24(20)36)14-25-11-18(25)13-37-22-5-2-17(10-19(22)25)26(6-7-26)27(28,29)30/h2-5,10,12,15,18H,6-9,11,13-14H2,1H3/t18-,25?/m0/s1
• InChIKey: MLZHNNLTXCDNLL-CPFIQGLUSA-N
• XLogP: 3.74
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118389855) is 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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(CC24C[C@H]2COc2ccc(C5(C(F)(F)F)CC5)cc24)C3=O)cn1.

What is the InChIKey of 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is MLZHNNLTXCDNLL-CPFIQGLUSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-16-12-33(15-31-16)20-3-4-21-23(35)32(8-9-34(21)24(20)36)14-25-11-18(25)13-37-22-5-2-17(10-19(22)25)26(6-7-26)27(28,29)30/h2-5,10,12,15,18H,6-9,11,13-14H2,1H3/t18-,25?/m0/s1.

What are the key properties of 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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 510.52 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 2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[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 118389855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).