2-(4-(4-methoxyphenyl)piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde|2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde|2-[4-(4-methoxyphenyl)pipe...

General Information

Structure

Molecular Formula

C₂₀H₂₀N₄O₃

Molecular Mass

364.3978

Exact Mass

364.15354052

Charge

InChI

InChI=1S/C20H20N4O3/c1-27-16-7-5-15(6-8-16)22-10-12-23(13-11-22)19-17(14-25)20(26)24-9-3-2-4-18(24)21-19/h2-9,14H,10-13H2,1H3

InChIKey

IDBANIMZRNPOOM-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

Isomeric Smiles

c1(nc2n(c(=O)c1C=O)cccc2)N1CCN(c2ccc(cc2)OC)CC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8482323

LogD (pH = 7.4)

1.8615186

Log P

1.8616906

Molar Refractivity

114.0951

Polarizability

38.173203

Polar Surface Area

65.45

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(4-(4-methoxyphenyl)piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

IUPAC name

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

IUPAC Traditional name

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

Names and Identifiers

Registration numbers

PubChem SID

162215917

PubChem CID

2019890

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121564