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

C21H18N4O3 — CID 177241260

IUPAC3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21
InChIInChI=1S/C21H18N4O3/c1-24-16-5-3-2-4-15(16)19(23-24)12-6-7-14-13(10-12)11-25(21(14)28)17-8-9-18(26)22-20(17)27/h2-7,10,17H,8-9,11H2,1H3,(H,22,26,27)
InChIKeyGYXXNTASSMTHTC-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.00
Rot. Bonds2

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

3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241260) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241260
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21
InChIInChI=1S/C21H18N4O3/c1-24-16-5-3-2-4-15(16)19(23-24)12-6-7-14-13(10-12)11-25(21(14)28)17-8-9-18(26)22-20(17)27/h2-7,10,17H,8-9,11H2,1H3,(H,22,26,27)
InChIKeyGYXXNTASSMTHTC-UHFFFAOYSA-N
XLogP2.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241381
3-[6-(1,5-dimethyl-4-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075260
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241243
3-[6-[5-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577678
3-[6-[5-(1H-indol-3-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174286329
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[6-[5-(2-chlorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075712
3-[6-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075676
(3S)-3-[6-[5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075290

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241260) is 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21.
What is the InChIKey of 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GYXXNTASSMTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-24-16-5-3-2-4-15(16)19(23-24)12-6-7-14-13(10-12)11-25(21(14)28)17-8-9-18(26)22-20(17)27/h2-7,10,17H,8-9,11H2,1H3,(H,22,26,27).
What are the key properties of 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 374.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).