7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C22H17F3N4O3 — CID 76853226

IUPAC7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2coc4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C22H17F3N4O3/c1-13-9-28(12-26-13)17-3-4-18-20(30)27(6-7-29(18)21(17)31)10-14-11-32-19-5-2-15(8-16(14)19)22(23,24)25/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyDBTVMYRLXDLWRB-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.76
Rot. Bonds3

About 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 76853226) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID76853226
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2coc4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C22H17F3N4O3/c1-13-9-28(12-26-13)17-3-4-18-20(30)27(6-7-29(18)21(17)31)10-14-11-32-19-5-2-15(8-16(14)19)22(23,24)25/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyDBTVMYRLXDLWRB-UHFFFAOYSA-N
XLogP3.76
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 76853226) is 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(Cc2coc4ccc(C(F)(F)F)cc24)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is DBTVMYRLXDLWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-13-9-28(12-26-13)17-3-4-18-20(30)27(6-7-29(18)21(17)31)10-14-11-32-19-5-2-15(8-16(14)19)22(23,24)25/h2-5,8-9,11-12H,6-7,10H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 442.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1-benzofuran-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 76853226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).