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

C20H18Cl2N4O2 — CID 118084285

IUPAC2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2ccc(Cl)c(Cl)c2)C3=O)cn1
InChIInChI=1S/C20H18Cl2N4O2/c1-12-8-24(11-23-12)17-5-6-18-20(28)25(13(2)9-26(18)19(17)27)10-14-3-4-15(21)16(22)7-14/h3-8,11,13H,9-10H2,1-2H3
InChIKeyRZBBNSGDEOUZPY-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.69
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118084285) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118084285
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2ccc(Cl)c(Cl)c2)C3=O)cn1
InChIInChI=1S/C20H18Cl2N4O2/c1-12-8-24(11-23-12)17-5-6-18-20(28)25(13(2)9-26(18)19(17)27)10-14-3-4-15(21)16(22)7-14/h3-8,11,13H,9-10H2,1-2H3
InChIKeyRZBBNSGDEOUZPY-UHFFFAOYSA-N
XLogP3.69
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90286694
ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 144669726
2-[(6-bromo-2-methyl-3,4-dihydrochromen-2-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118555652
tert-butyl 3-[[3-methyl-7-(4-methylimidazol-1-yl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]-5-(trifluoromethoxy)indole-1-carboxylate
CID 118084270
3-methyl-7-(4-methylimidazol-1-yl)-2-[1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118564177
7-(4-methylimidazol-1-yl)-2-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074410
2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447062
1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 148842493
3-methyl-8-(4-methylimidazol-1-yl)-2-[[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methyl]-4,5-dihydro-3H-pyrido[1,2-a][1,4]diazepine-1,7-dione
CID 146383866
1-[(4-fluorophenyl)methyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6-dimethylpiperidin-2-one
CID 66961251
12-(4-methylimidazol-1-yl)-6-[3-methyl-5-(trifluoromethyl)phenyl]-1,7-diazatricyclo[7.4.0.03,7]trideca-9,11-diene-8,13-dione
CID 157292445
tert-butyl 3-[1-[3-methyl-7-(4-methylimidazol-1-yl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-5-(trifluoromethyl)indole-1-carboxylate
CID 118084244

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118084285) is 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2ccc(Cl)c(Cl)c2)C3=O)cn1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is RZBBNSGDEOUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-12-8-24(11-23-12)17-5-6-18-20(28)25(13(2)9-26(18)19(17)27)10-14-3-4-15(21)16(22)7-14/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 417.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118084285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).