4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one

C32H35N5O2 — CID 46945723

IUPAC4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one
SMILESCCOc1ccc(-c2cc(=O)n(-c3ccccc3)c(N3CCN(CC)CC3)c2/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C32H35N5O2/c1-4-35-19-21-36(22-20-35)32-31(34-33-26-15-11-24(3)12-16-26)29(25-13-17-28(18-14-25)39-5-2)23-30(38)37(32)27-9-7-6-8-10-27/h6-18,23H,4-5,19-22H2,1-3H3/b34-33+
InChIKeyFXFFTHYAFRUDST-JEIPZWNWSA-N
MW521.67 g/mol
LogP6.77
Rot. Bonds8

About 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one

4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one (PubChem CID 46945723) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one
PubChem CID46945723
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one
SMILESCCOc1ccc(-c2cc(=O)n(-c3ccccc3)c(N3CCN(CC)CC3)c2/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C32H35N5O2/c1-4-35-19-21-36(22-20-35)32-31(34-33-26-15-11-24(3)12-16-26)29(25-13-17-28(18-14-25)39-5-2)23-30(38)37(32)27-9-7-6-8-10-27/h6-18,23H,4-5,19-22H2,1-3H3/b34-33+
InChIKeyFXFFTHYAFRUDST-JEIPZWNWSA-N
XLogP6.77
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one (CID 46945723) is 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one is CCOc1ccc(-c2cc(=O)n(-c3ccccc3)c(N3CCN(CC)CC3)c2/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one?
The InChIKey is FXFFTHYAFRUDST-JEIPZWNWSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-4-35-19-21-36(22-20-35)32-31(34-33-26-15-11-24(3)12-16-26)29(25-13-17-28(18-14-25)39-5-2)23-30(38)37(32)27-9-7-6-8-10-27/h6-18,23H,4-5,19-22H2,1-3H3/b34-33+.
What are the key properties of 4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one?
4-(4-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one has a molecular weight of 521.67 g/mol, XLogP of 6.77, 8 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-ethylpiperazin-1-yl)-5-[(4-methylphenyl)diazenyl]-1-phenylpyridin-2-one is sourced from PubChem (CID 46945723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).