4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one

C30H39N5O2 — CID 46945130

IUPAC4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one
SMILESCCOc1ccc(-c2cc(N3CCN(C)CC3)n(-c3ccccc3)c(=O)c2CN2CCN(C)CC2)cc1
InChIInChI=1S/C30H39N5O2/c1-4-37-26-12-10-24(11-13-26)27-22-29(34-20-16-32(3)17-21-34)35(25-8-6-5-7-9-25)30(36)28(27)23-33-18-14-31(2)15-19-33/h5-13,22H,4,14-21,23H2,1-3H3
InChIKeySDECHXDMYAEVGR-UHFFFAOYSA-N
MW501.68 g/mol
LogP3.40
Rot. Bonds7

About 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one

4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one (PubChem CID 46945130) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one
PubChem CID46945130
Molecular FormulaC30H39N5O2
Molecular Weight501.68 g/mol
Exact Mass501.31
IUPAC Name4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one
SMILESCCOc1ccc(-c2cc(N3CCN(C)CC3)n(-c3ccccc3)c(=O)c2CN2CCN(C)CC2)cc1
InChIInChI=1S/C30H39N5O2/c1-4-37-26-12-10-24(11-13-26)27-22-29(34-20-16-32(3)17-21-34)35(25-8-6-5-7-9-25)30(36)28(27)23-33-18-14-31(2)15-19-33/h5-13,22H,4,14-21,23H2,1-3H3
InChIKeySDECHXDMYAEVGR-UHFFFAOYSA-N
XLogP3.40
TPSA44.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chlorophenyl)diazenyl]-4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-phenylpyridin-2-one
CID 46947320
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one
CID 46945723
7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-3,4-dihydroisoquinolin-1-one
CID 18510876
1-benzyl-3-(4-ethoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110546480
6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-3H-isoindol-1-one
CID 18510842
3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
CID 110547621
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2113108
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 707896
4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
CID 136564269
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577487
ethyl 4-(4-ethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46921025

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one (CID 46945130) is 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one is CCOc1ccc(-c2cc(N3CCN(C)CC3)n(-c3ccccc3)c(=O)c2CN2CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one?
The InChIKey is SDECHXDMYAEVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-4-37-26-12-10-24(11-13-26)27-22-29(34-20-16-32(3)17-21-34)35(25-8-6-5-7-9-25)30(36)28(27)23-33-18-14-31(2)15-19-33/h5-13,22H,4,14-21,23H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one?
4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one has a molecular weight of 501.68 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1-phenylpyridin-2-one is sourced from PubChem (CID 46945130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).