3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

C20H20N4O3 — CID 162723774

IUPAC3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4n[nH]c5c4CCCC5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-9-11(5-6-13(12)20(24)27)18-14-3-1-2-4-15(14)22-23-18/h5-6,9,16H,1-4,7-8,10H2,(H,22,23)(H,21,25,26)
InChIKeyOHKAQAMBWOVMKW-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.72
Rot. Bonds2

About 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 162723774) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID162723774
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4n[nH]c5c4CCCC5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-9-11(5-6-13(12)20(24)27)18-14-3-1-2-4-15(14)22-23-18/h5-6,9,16H,1-4,7-8,10H2,(H,22,23)(H,21,25,26)
InChIKeyOHKAQAMBWOVMKW-UHFFFAOYSA-N
XLogP1.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridazine-4-carbonitrile
CID 166173907
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[6-(6-amino-3-fluoro-4-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077066
3-[3-oxo-6-[(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740957
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241351
3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241260
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 162723774) is 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4n[nH]c5c4CCCC5)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OHKAQAMBWOVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-17-8-7-16(19(26)21-17)24-10-12-9-11(5-6-13(12)20(24)27)18-14-3-1-2-4-15(14)22-23-18/h5-6,9,16H,1-4,7-8,10H2,(H,22,23)(H,21,25,26).
What are the key properties of 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 364.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 162723774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).