2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one

C21H19N3O3 — CID 154462544

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(Cn2ccn3cc(-c4ccncc4)cc3c2=O)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-26-18-4-3-16(20(12-18)27-2)13-24-10-9-23-14-17(11-19(23)21(24)25)15-5-7-22-8-6-15/h3-12,14H,13H2,1-2H3
InChIKeyQQISUQLTPPUIIR-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.23
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one

2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 154462544) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID154462544
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(Cn2ccn3cc(-c4ccncc4)cc3c2=O)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-26-18-4-3-16(20(12-18)27-2)13-24-10-9-23-14-17(11-19(23)21(24)25)15-5-7-22-8-6-15/h3-12,14H,13H2,1-2H3
InChIKeyQQISUQLTPPUIIR-UHFFFAOYSA-N
XLogP3.23
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 174236060
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
4-[(4-aminophenyl)methyl]-2-[(2,4-dimethoxyphenyl)methyl]-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[1,2-a]pyrazin-1-one
CID 67441940
N-[(2,4-dimethoxyphenyl)methyl]-2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]acetamide
CID 53001236
3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
1-(2,4-dimethoxyphenyl)-N-[[1-(4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]methyl]methanamine
CID 59177843
2-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)-7-phenylisoquinolin-1-one
CID 167498310
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one (CID 154462544) is 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one is COc1ccc(Cn2ccn3cc(-c4ccncc4)cc3c2=O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is QQISUQLTPPUIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-18-4-3-16(20(12-18)27-2)13-24-10-9-23-14-17(11-19(23)21(24)25)15-5-7-22-8-6-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one?
2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 361.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 154462544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).