2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine

C26H27F3N4O — CID 118389860

About 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine

2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine (PubChem CID 118389860) has the molecular formula C26H27F3N4O and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine
• PubChem CID: 118389860
• Molecular Formula: C26H27F3N4O
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.21
• IUPAC Name: 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine
• SMILES: Cc1cn(C2=CN3CCN(C[C@]45C[C@H]4C(C)(C)Oc4ccc(C(F)(F)F)cc45)C=C3C=C2)cn1
• InChI: InChI=1S/C26H27F3N4O/c1-17-12-33(16-30-17)20-6-5-19-13-31(8-9-32(19)14-20)15-25-11-23(25)24(2,3)34-22-7-4-18(10-21(22)25)26(27,28)29/h4-7,10,12-14,16,23H,8-9,11,15H2,1-3H3/t23-,25-/m0/s1
• InChIKey: JUEUIFAIAHEVLQ-ZCYQVOJMSA-N
• XLogP: 5.17
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine (CID 118389860) is 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine.

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

The canonical SMILES for 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine is Cc1cn(C2=CN3CCN(C[C@]45C[C@H]4C(C)(C)Oc4ccc(C(F)(F)F)cc45)C=C3C=C2)cn1.

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

The InChIKey is JUEUIFAIAHEVLQ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C26H27F3N4O/c1-17-12-33(16-30-17)20-6-5-19-13-31(8-9-32(19)14-20)15-25-11-23(25)24(2,3)34-22-7-4-18(10-21(22)25)26(27,28)29/h4-7,10,12-14,16,23H,8-9,11,15H2,1-3H3/t23-,25-/m0/s1.

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

2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine has a molecular weight of 468.52 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1aR,7bR)-2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 118389860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).