4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

C22H21N3O3 — CID 108604390

IUPAC4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O3/c1-13(2)20(26)18-19(16-11-24-17-6-4-3-5-15(16)17)25(22(28)21(18)27)12-14-7-9-23-10-8-14/h3-11,13,19,24,27H,12H2,1-2H3
InChIKeyFEULJVYUHQDAJF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.68
Rot. Bonds5

About 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108604390) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID108604390
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O3/c1-13(2)20(26)18-19(16-11-24-17-6-4-3-5-15(16)17)25(22(28)21(18)27)12-14-7-9-23-10-8-14/h3-11,13,19,24,27H,12H2,1-2H3
InChIKeyFEULJVYUHQDAJF-UHFFFAOYSA-N
XLogP3.68
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108604336
4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604410
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108604042
2-(3,4-dichlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108695407
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681050
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108604396
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640971
2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108645401
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603432
4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603437
(4E)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-5-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108604384

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 108604390) is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is FEULJVYUHQDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(2)20(26)18-19(16-11-24-17-6-4-3-5-15(16)17)25(22(28)21(18)27)12-14-7-9-23-10-8-14/h3-11,13,19,24,27H,12H2,1-2H3.
What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 375.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).