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2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H19F3N4O5 — CID 155068335

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C(=O)[C@]2(C)Oc2ccc(OC(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H19F3N4O5/c1-13-10-30(12-28-13)16-4-5-17-19(32)29(7-8-31(17)20(16)33)11-23-15-9-14(35-24(25,26)27)3-6-18(15)36-22(23,2)21(23)34/h3-6,9-10,12H,7-8,11H2,1-2H3/t22-,23+/m0/s1
InChIKeyZYCBLQKGAWTVJE-XZOQPEGZSA-N
MW500.43 g/mol
LogP2.37
Rot. Bonds4

About 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 155068335) has the molecular formula C24H19F3N4O5 and a molecular weight of 500.43 g/mol. Its IUPAC name is 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID155068335
Molecular FormulaC24H19F3N4O5
Molecular Weight500.43 g/mol
Exact Mass500.13
IUPAC Name2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C(=O)[C@]2(C)Oc2ccc(OC(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H19F3N4O5/c1-13-10-30(12-28-13)16-4-5-17-19(32)29(7-8-31(17)20(16)33)11-23-15-9-14(35-24(25,26)27)3-6-18(15)36-22(23,2)21(23)34/h3-6,9-10,12H,7-8,11H2,1-2H3/t22-,23+/m0/s1
InChIKeyZYCBLQKGAWTVJE-XZOQPEGZSA-N
XLogP2.37
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 155068335) is 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-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,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-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(=O)[C@]2(C)Oc2ccc(OC(F)(F)F)cc24)C3=O)cn1.
What is the InChIKey of 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ZYCBLQKGAWTVJE-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H19F3N4O5/c1-13-10-30(12-28-13)16-4-5-17-19(32)29(7-8-31(17)20(16)33)11-23-15-9-14(35-24(25,26)27)3-6-18(15)36-22(23,2)21(23)34/h3-6,9-10,12H,7-8,11H2,1-2H3/t22-,23+/m0/s1.
What are the key properties of 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 500.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 155068335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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