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

C23H24N4O4 — CID 166427075

IUPAC3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cncc(OCC5CCCC5)n4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O4/c28-20-8-7-19(22(29)26-20)27-12-16-9-15(5-6-17(16)23(27)30)18-10-24-11-21(25-18)31-13-14-3-1-2-4-14/h5-6,9-11,14,19H,1-4,7-8,12-13H2,(H,26,28,29)
InChIKeyAZKJGMLOZALWIH-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.47
Rot. Bonds5

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

3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166427075) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166427075
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cncc(OCC5CCCC5)n4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O4/c28-20-8-7-19(22(29)26-20)27-12-16-9-15(5-6-17(16)23(27)30)18-10-24-11-21(25-18)31-13-14-3-1-2-4-14/h5-6,9-11,14,19H,1-4,7-8,12-13H2,(H,26,28,29)
InChIKeyAZKJGMLOZALWIH-UHFFFAOYSA-N
XLogP2.47
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-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-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427130
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240699
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 177241125

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166427075) is 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4cncc(OCC5CCCC5)n4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AZKJGMLOZALWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-20-8-7-19(22(29)26-20)27-12-16-9-15(5-6-17(16)23(27)30)18-10-24-11-21(25-18)31-13-14-3-1-2-4-14/h5-6,9-11,14,19H,1-4,7-8,12-13H2,(H,26,28,29).
What are the key properties of 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 420.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166427075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).