2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione

C20H18N4O2 — CID 118612781

IUPAC2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc2nccnc2n1C1CCCCC1
InChIInChI=1S/C20H18N4O2/c25-19-14-8-4-5-9-15(14)20(26)24(19)17-12-16-18(22-11-10-21-16)23(17)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyKUOJNBQPAYXSJQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds2

About 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione

2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione (PubChem CID 118612781) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione
PubChem CID118612781
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc2nccnc2n1C1CCCCC1
InChIInChI=1S/C20H18N4O2/c25-19-14-8-4-5-9-15(14)20(26)24(19)17-12-16-18(22-11-10-21-16)23(17)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyKUOJNBQPAYXSJQ-UHFFFAOYSA-N
XLogP3.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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AP-24163
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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione (CID 118612781) is 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc2nccnc2n1C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione?
The InChIKey is KUOJNBQPAYXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19-14-8-4-5-9-15(14)20(26)24(19)17-12-16-18(22-11-10-21-16)23(17)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione?
2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione has a molecular weight of 346.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexylpyrrolo[2,3-b]pyrazin-6-yl)isoindole-1,3-dione is sourced from PubChem (CID 118612781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).