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

C24H19F3N4O2 — CID 118726364

IUPAC7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H19F3N4O2/c1-15-12-30(14-28-15)20-7-8-21-22(32)29(9-10-31(21)23(20)33)13-17-4-2-3-16-5-6-18(11-19(16)17)24(25,26)27/h2-8,11-12,14H,9-10,13H2,1H3
InChIKeyAGHXCKLYYIUDCG-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.17
Rot. Bonds3

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

7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118726364) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118726364
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H19F3N4O2/c1-15-12-30(14-28-15)20-7-8-21-22(32)29(9-10-31(21)23(20)33)13-17-4-2-3-16-5-6-18(11-19(16)17)24(25,26)27/h2-8,11-12,14H,9-10,13H2,1H3
InChIKeyAGHXCKLYYIUDCG-UHFFFAOYSA-N
XLogP4.17
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118726364) is 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(C(F)(F)F)cc24)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is AGHXCKLYYIUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-12-30(14-28-15)20-7-8-21-22(32)29(9-10-31(21)23(20)33)13-17-4-2-3-16-5-6-18(11-19(16)17)24(25,26)27/h2-8,11-12,14H,9-10,13H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 452.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-2-[[7-(trifluoromethyl)naphthalen-1-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118726364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).