5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one

C26H25ClN4O3 — CID 67427811

IUPAC5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one
SMILESCOc1ccccc1C1(CC(=O)N2CCN(c3cccnc3)CC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C26H25ClN4O3/c1-34-23-7-3-2-6-20(23)26(21-15-18(27)8-9-22(21)29-25(26)33)16-24(32)31-13-11-30(12-14-31)19-5-4-10-28-17-19/h2-10,15,17H,11-14,16H2,1H3,(H,29,33)
InChIKeyYDMGXRXTZIUJLJ-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one

5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one (PubChem CID 67427811) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one
PubChem CID67427811
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one
SMILESCOc1ccccc1C1(CC(=O)N2CCN(c3cccnc3)CC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C26H25ClN4O3/c1-34-23-7-3-2-6-20(23)26(21-15-18(27)8-9-22(21)29-25(26)33)16-24(32)31-13-11-30(12-14-31)19-5-4-10-28-17-19/h2-10,15,17H,11-14,16H2,1H3,(H,29,33)
InChIKeyYDMGXRXTZIUJLJ-UHFFFAOYSA-N
XLogP3.72
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1H-indol-2-one
CID 67430051
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 118794900
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxyphenyl)butane-1,4-dione
CID 121448945
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
5-chloro-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-1-benzofuran-2-one
CID 14303511
(2S,4S)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoropyrrolidine-2-carboxylic acid
CID 69299092
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 45143533
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
CID 126855630
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one (CID 67427811) is 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one is COc1ccccc1C1(CC(=O)N2CCN(c3cccnc3)CC2)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one?
The InChIKey is YDMGXRXTZIUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-34-23-7-3-2-6-20(23)26(21-15-18(27)8-9-22(21)29-25(26)33)16-24(32)31-13-11-30(12-14-31)19-5-4-10-28-17-19/h2-10,15,17H,11-14,16H2,1H3,(H,29,33).
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one?
5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one has a molecular weight of 476.96 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 67427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).