6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride

C21H24ClN3O3 — CID 158345732

IUPAC6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C21H23N3O3.ClH/c1-21(11-17(23-20(21)27)16-10-15(25)12-22-16)14-8-6-13(7-9-14)18-4-3-5-19(26)24(18)2;/h3-9,15-16,22,25H,10-12H2,1-2H3;1H/t15-,16?,21?;/m1./s1
InChIKeyZEJGIXDNKACFLT-JSCYATTESA-N
MW401.89 g/mol
LogP1.83
Rot. Bonds3

About 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride

6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride (PubChem CID 158345732) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
PubChem CID158345732
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C21H23N3O3.ClH/c1-21(11-17(23-20(21)27)16-10-15(25)12-22-16)14-8-6-13(7-9-14)18-4-3-5-19(26)24(18)2;/h3-9,15-16,22,25H,10-12H2,1-2H3;1H/t15-,16?,21?;/m1./s1
InChIKeyZEJGIXDNKACFLT-JSCYATTESA-N
XLogP1.83
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride 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

(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one
CID 157847590
tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
CID 157353938
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
CID 162468886
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
CID 162468887
(2S)-2-tert-butyl-1-[(2S,4R)-2-[1-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)phenyl]methylamino]ethenyl]-4-hydroxypyrrolidin-1-yl]-4-methylpentan-1-one
CID 167682983
methyl 3-[4-(2,5-dimethyl-3H-pyrrol-4-yl)phenyl]-3-formamidopropanoate;pyrrolidin-3-ol
CID 176573046
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
CID 157353937
N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[(4R)-4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157527903
N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157527904
N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157527905
N-[(2S)-1-[(2R,4R)-4-hydroxy-2-[(4R)-4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157527906
N-[(2S)-1-[(2R,4R)-4-hydroxy-2-[(4S)-4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157527907

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride (CID 158345732) is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride is Cl.Cn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4)=NC3=O)cc2)cccc1=O.
What is the InChIKey of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The InChIKey is ZEJGIXDNKACFLT-JSCYATTESA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c1-21(11-17(23-20(21)27)16-10-15(25)12-22-16)14-8-6-13(7-9-14)18-4-3-5-19(26)24(18)2;/h3-9,15-16,22,25H,10-12H2,1-2H3;1H/t15-,16?,21?;/m1./s1.
What are the key properties of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 158345732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).