3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione

C20H15N5O3 — CID 167929770

IUPAC3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccc5nccnc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15N5O3/c26-16-4-3-15(19(27)24-16)25-10-12-9-11(1-2-13(12)20(25)28)17-18-14(5-6-22-17)21-7-8-23-18/h1-2,5-9,15H,3-4,10H2,(H,24,26,27)
InChIKeyQHLUHHUJWAKFNH-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.45
Rot. Bonds2

About 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167929770) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167929770
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccc5nccnc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15N5O3/c26-16-4-3-15(19(27)24-16)25-10-12-9-11(1-2-13(12)20(25)28)17-18-14(5-6-22-17)21-7-8-23-18/h1-2,5-9,15H,3-4,10H2,(H,24,26,27)
InChIKeyQHLUHHUJWAKFNH-UHFFFAOYSA-N
XLogP1.45
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[3-fluoro-4-[[2-(4-fluorophenyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649469
3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridazine-4-carbonitrile
CID 166173907
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
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-benzylpyrrolo[3,2-c]pyridin-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166174036
(3S)-3-[6-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-fluoro-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403346
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 177241125
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
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-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649491

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167929770) is 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nccc5nccnc45)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is QHLUHHUJWAKFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-16-4-3-15(19(27)24-16)25-10-12-9-11(1-2-13(12)20(25)28)17-18-14(5-6-22-17)21-7-8-23-18/h1-2,5-9,15H,3-4,10H2,(H,24,26,27).
What are the key properties of 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 373.37 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167929770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).