(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C23H26ClN3O4 — CID 67430958

IUPAC(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1c(C)cccc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H26ClN3O4/c1-13-6-5-7-16(20(13)31-4)23(17-10-14(24)8-9-18(17)25-22(23)30)27-12-15(28)11-19(27)21(29)26(2)3/h5-10,15,19,28H,11-12H2,1-4H3,(H,25,30)/t15-,19+,23?/m1/s1
InChIKeyPBIZPIOHFLLAMI-SHIJFOIJSA-N
MW443.93 g/mol
LogP2.38
Rot. Bonds4

About (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 67430958) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID67430958
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1c(C)cccc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H26ClN3O4/c1-13-6-5-7-16(20(13)31-4)23(17-10-14(24)8-9-18(17)25-22(23)30)27-12-15(28)11-19(27)21(29)26(2)3/h5-10,15,19,28H,11-12H2,1-4H3,(H,25,30)/t15-,19+,23?/m1/s1
InChIKeyPBIZPIOHFLLAMI-SHIJFOIJSA-N
XLogP2.38
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[5-chloro-3-(2-methoxy-5-pyridin-4-ylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67427934
(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
CID 69058942
(2S,4R)-1-[3-(1,3-benzodioxol-5-yl)-5-chloro-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67431039
(2S,4R)-1-[5-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 158606458
(2S)-1-[5-chloro-3-(2,3-diethoxyphenyl)-2-oxo-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 69108302
(2S,4R)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-2-oxo-1H-indol-3-yl]-4-(cyanomethoxy)-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428856
(2S,4S)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoropyrrolidine-2-carboxylic acid
CID 69299092
(2S,4R)-1-[5-chloro-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867805
(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867844
(2S,4R)-1-[5-cyano-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 143257723
(2S,4R)-1-[5-chloro-3-(2-methoxy-5-methyl-3-pyridinyl)-2-oxo-1-(2,3,4-trimethoxyphenyl)sulfinylindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 69300129
(2S)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-N-ethyl-4-fluoropyrrolidine-2-carboxamide
CID 67428596

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 67430958) is (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is COc1c(C)cccc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is PBIZPIOHFLLAMI-SHIJFOIJSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-13-6-5-7-16(20(13)31-4)23(17-10-14(24)8-9-18(17)25-22(23)30)27-12-15(28)11-19(27)21(29)26(2)3/h5-10,15,19,28H,11-12H2,1-4H3,(H,25,30)/t15-,19+,23?/m1/s1.
What are the key properties of (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67430958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).