5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one

C18H17N5O — CID 25115382

IUPAC5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(NC4CCC4)c4nccn34)ccc21
InChIInChI=1S/C18H17N5O/c24-18-14-5-4-11(8-12(14)9-21-18)15-10-20-16(22-13-2-1-3-13)17-19-6-7-23(15)17/h4-8,10,13H,1-3,9H2,(H,20,22)(H,21,24)
InChIKeyONVUDGHEENTKQE-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.60
Rot. Bonds3

About 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 25115382) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID25115382
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(NC4CCC4)c4nccn34)ccc21
InChIInChI=1S/C18H17N5O/c24-18-14-5-4-11(8-12(14)9-21-18)15-10-20-16(22-13-2-1-3-13)17-19-6-7-23(15)17/h4-8,10,13H,1-3,9H2,(H,20,22)(H,21,24)
InChIKeyONVUDGHEENTKQE-UHFFFAOYSA-N
XLogP2.60
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane
CID 91544688
5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 59023000
5-[8-[4-(azonan-1-yliodanuidyl)anilino]imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 163821028
5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one
CID 59496149
N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine
CID 170751102
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988165
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 67120782
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046113
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide;ethane
CID 91091073

Frequently Asked Questions

What is the IUPAC name of 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (CID 25115382) is 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3cnc(NC4CCC4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is ONVUDGHEENTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18-14-5-4-11(8-12(14)9-21-18)15-10-20-16(22-13-2-1-3-13)17-19-6-7-23(15)17/h4-8,10,13H,1-3,9H2,(H,20,22)(H,21,24).
What are the key properties of 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 319.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 25115382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).