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

C21H18N4O4 — CID 166427060

IUPAC3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2[nH]ncc12
InChIInChI=1S/C21H18N4O4/c1-29-18-8-12(7-16-15(18)9-22-24-16)11-2-3-14-13(6-11)10-25(21(14)28)17-4-5-19(26)23-20(17)27/h2-3,6-9,17H,4-5,10H2,1H3,(H,22,24)(H,23,26,27)
InChIKeyMBHUPZQSUBOSMN-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.00
Rot. Bonds3

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

3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166427060) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166427060
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2[nH]ncc12
InChIInChI=1S/C21H18N4O4/c1-29-18-8-12(7-16-15(18)9-22-24-16)11-2-3-14-13(6-11)10-25(21(14)28)17-4-5-19(26)23-20(17)27/h2-3,6-9,17H,4-5,10H2,1H3,(H,22,24)(H,23,26,27)
InChIKeyMBHUPZQSUBOSMN-UHFFFAOYSA-N
XLogP2.00
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240699
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167941117
3-[6-[4-(4-chloro-3-methoxyphenyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167791543
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075676
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
3-[3-oxo-6-(2-propan-2-ylpyrazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166425756
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166427060) is 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2[nH]ncc12.
What is the InChIKey of 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is MBHUPZQSUBOSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-29-18-8-12(7-16-15(18)9-22-24-16)11-2-3-14-13(6-11)10-25(21(14)28)17-4-5-19(26)23-20(17)27/h2-3,6-9,17H,4-5,10H2,1H3,(H,22,24)(H,23,26,27).
What are the key properties of 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 390.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166427060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).