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

C20H20N4O4 — CID 166427130

IUPAC3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)Oc1cncc(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)n1
InChIInChI=1S/C20H20N4O4/c1-11(2)28-18-9-21-8-15(22-18)12-3-4-13-10-24(20(27)14(13)7-12)16-5-6-17(25)23-19(16)26/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,23,25,26)
InChIKeyQUWDKRHUIUSSSP-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.69
Rot. Bonds4

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

3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166427130) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166427130
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)Oc1cncc(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)n1
InChIInChI=1S/C20H20N4O4/c1-11(2)28-18-9-21-8-15(22-18)12-3-4-13-10-24(20(27)14(13)7-12)16-5-6-17(25)23-19(16)26/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,23,25,26)
InChIKeyQUWDKRHUIUSSSP-UHFFFAOYSA-N
XLogP1.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167854838
3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427075
3-[5-[3-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167755691
3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241069
3-[5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167950106
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241351
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
3-[5-(4-isoquinolin-6-yltriazol-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167841411
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166427130) is 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)Oc1cncc(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)n1.
What is the InChIKey of 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QUWDKRHUIUSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11(2)28-18-9-21-8-15(22-18)12-3-4-13-10-24(20(27)14(13)7-12)16-5-6-17(25)23-19(16)26/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,23,25,26).
What are the key properties of 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 380.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166427130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).