3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H16N4O3 — CID 177241351

IUPAC3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(-c4n[nH]c5ccccc45)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H16N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-6-5-11(9-14(12)20(24)27)18-13-3-1-2-4-15(13)22-23-18/h1-6,9,16H,7-8,10H2,(H,22,23)(H,21,25,26)
InChIKeyWYXHWKNRBJVEOG-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.99
Rot. Bonds2

About 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241351) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241351
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(-c4n[nH]c5ccccc45)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H16N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-6-5-11(9-14(12)20(24)27)18-13-3-1-2-4-15(13)22-23-18/h1-6,9,16H,7-8,10H2,(H,22,23)(H,21,25,26)
InChIKeyWYXHWKNRBJVEOG-UHFFFAOYSA-N
XLogP1.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241260
3-[5-[3-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167755691
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[6-[5-(1H-indol-3-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174286329
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-[5-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166422971

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241351) is 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(-c4n[nH]c5ccccc45)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WYXHWKNRBJVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-6-5-11(9-14(12)20(24)27)18-13-3-1-2-4-15(13)22-23-18/h1-6,9,16H,7-8,10H2,(H,22,23)(H,21,25,26).
What are the key properties of 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 360.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).