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

C19H15N5O3 — CID 177241125

IUPAC3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cn5ccnc5cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15N5O3/c25-17-4-3-15(18(26)22-17)24-9-12-7-11(1-2-13(12)19(24)27)14-10-23-6-5-20-16(23)8-21-14/h1-2,5-8,10,15H,3-4,9H2,(H,22,25,26)
InChIKeyIWGLBMJDXTUANT-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.16
Rot. Bonds2

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

3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 177241125) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID177241125
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cn5ccnc5cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15N5O3/c25-17-4-3-15(18(26)22-17)24-9-12-7-11(1-2-13(12)19(24)27)14-10-23-6-5-20-16(23)8-21-14/h1-2,5-8,10,15H,3-4,9H2,(H,22,25,26)
InChIKeyIWGLBMJDXTUANT-UHFFFAOYSA-N
XLogP1.16
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075927
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-imidazo[1,2-a]pyridin-6-ylprop-2-ynamide
CID 167288970
3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167854838
3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240699
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
3-[6-[4-[[3-(aminomethyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403405
3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166174017

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 177241125) is 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4cn5ccnc5cn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is IWGLBMJDXTUANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-17-4-3-15(18(26)22-17)24-9-12-7-11(1-2-13(12)19(24)27)14-10-23-6-5-20-16(23)8-21-14/h1-2,5-8,10,15H,3-4,9H2,(H,22,25,26).
What are the key properties of 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 361.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 177241125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).