4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one

C23H26N4O3 — CID 108725203

IUPAC4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(N3CCN(C)CC3)cc2)C1c1ccncc1
InChIInChI=1S/C23H26N4O3/c1-3-19(28)20-21(16-8-10-24-11-9-16)27(23(30)22(20)29)18-6-4-17(5-7-18)26-14-12-25(2)13-15-26/h4-11,21,29H,3,12-15H2,1-2H3
InChIKeyGFKTZITUQKBPDM-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.71
Rot. Bonds5

About 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one

4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108725203) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108725203
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(N3CCN(C)CC3)cc2)C1c1ccncc1
InChIInChI=1S/C23H26N4O3/c1-3-19(28)20-21(16-8-10-24-11-9-16)27(23(30)22(20)29)18-6-4-17(5-7-18)26-14-12-25(2)13-15-26/h4-11,21,29H,3,12-15H2,1-2H3
InChIKeyGFKTZITUQKBPDM-UHFFFAOYSA-N
XLogP2.71
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632810
4-hydroxy-3-(3-methylbutanoyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108721780
1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593986
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
(4Z)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108725171
4-hydroxy-3-propanoyl-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632042
4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634202
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrrol-5-one
CID 108713253
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593206
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108725203) is 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(N3CCN(C)CC3)cc2)C1c1ccncc1.
What is the InChIKey of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is GFKTZITUQKBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-19(28)20-21(16-8-10-24-11-9-16)27(23(30)22(20)29)18-6-4-17(5-7-18)26-14-12-25(2)13-15-26/h4-11,21,29H,3,12-15H2,1-2H3.
What are the key properties of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 406.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108725203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).