3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C25H23N3O4 — CID 108672205

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)C1c1ccccn1)c1ccco1
InChIInChI=1S/C25H23N3O4/c29-23(20-8-6-16-32-20)21-22(19-7-2-3-13-26-19)28(25(31)24(21)30)18-11-9-17(10-12-18)27-14-4-1-5-15-27/h2-3,6-13,16,22,30H,1,4-5,14-15H2
InChIKeyBSZHMXCYEYRNGG-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.45
Rot. Bonds5

About 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108672205) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108672205
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)C1c1ccccn1)c1ccco1
InChIInChI=1S/C25H23N3O4/c29-23(20-8-6-16-32-20)21-22(19-7-2-3-13-26-19)28(25(31)24(21)30)18-11-9-17(10-12-18)27-14-4-1-5-15-27/h2-3,6-13,16,22,30H,1,4-5,14-15H2
InChIKeyBSZHMXCYEYRNGG-UHFFFAOYSA-N
XLogP4.45
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.45
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

1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589470
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium
CID 6988293
1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591121
3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628215
3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108659143
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-tert-butylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589226
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589136
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625701
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598213
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723155

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108672205) is 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)C1c1ccccn1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is BSZHMXCYEYRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-23(20-8-6-16-32-20)21-22(19-7-2-3-13-26-19)28(25(31)24(21)30)18-11-9-17(10-12-18)27-14-4-1-5-15-27/h2-3,6-13,16,22,30H,1,4-5,14-15H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 429.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108672205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).