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

C26H24N4O3 — CID 122447062

IUPAC2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCOc1cccc(-c2cccc(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)c2)c1
InChIInChI=1S/C26H24N4O3/c1-18-15-29(17-27-18)23-9-10-24-25(31)28(11-12-30(24)26(23)32)16-19-5-3-6-20(13-19)21-7-4-8-22(14-21)33-2/h3-10,13-15,17H,11-12,16H2,1-2H3
InChIKeyYWBCRMBAJVMHRD-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.67
Rot. Bonds5

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

2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 122447062) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID122447062
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCOc1cccc(-c2cccc(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)c2)c1
InChIInChI=1S/C26H24N4O3/c1-18-15-29(17-27-18)23-9-10-24-25(31)28(11-12-30(24)26(23)32)16-19-5-3-6-20(13-19)21-7-4-8-22(14-21)33-2/h3-10,13-15,17H,11-12,16H2,1-2H3
InChIKeyYWBCRMBAJVMHRD-UHFFFAOYSA-N
XLogP3.67
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073054
7-(4-methylimidazol-1-yl)-2-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074410
7-(4-methylimidazol-1-yl)-2-[[2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447051
7-(4-methylimidazol-1-yl)-2-[2-[(2,2,3,3-tetrafluoro-1H-inden-4-yl)oxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 88959665
7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447067
2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073079
7-(4-methylimidazol-1-yl)-2-[[1-(trifluoromethyl)-1,1a-dihydrocyclopropa[b][1]benzofuran-6b-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 126738562
2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447130
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084285
2-[(2R)-5-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2-hydroxypent-4-ynyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90073913
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 122447062) is 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is COc1cccc(-c2cccc(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)c2)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is YWBCRMBAJVMHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-15-29(17-27-18)23-9-10-24-25(31)28(11-12-30(24)26(23)32)16-19-5-3-6-20(13-19)21-7-4-8-22(14-21)33-2/h3-10,13-15,17H,11-12,16H2,1-2H3.
What are the key properties of 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 440.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 122447062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).