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

C21H23N3O3 — CID 157353937

IUPAC6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C21H23N3O3/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/t15-,16?,21?/m1/s1
InChIKeyGRSDAUVLAUWQKP-IZINQKCZSA-N
MW365.43 g/mol
LogP1.40
Rot. Bonds3

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

6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 157353937) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 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.

Molecular Properties

Compound Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
PubChem CID157353937
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C21H23N3O3/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/t15-,16?,21?/m1/s1
InChIKeyGRSDAUVLAUWQKP-IZINQKCZSA-N
XLogP1.40
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
CID 158345732
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
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?
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 (CID 157353937) is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one.
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?
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 is 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?
The InChIKey is GRSDAUVLAUWQKP-IZINQKCZSA-N. The full InChI is InChI=1S/C21H23N3O3/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/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?
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 365.43 g/mol, XLogP of 1.40, 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 is sourced from PubChem (CID 157353937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).