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

C21H25N5O — CID 91544688

IUPAC5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane
SMILESCC.O=C1NCc2cc(-c3cnc(NCC4CCC4)c4nccn34)ccc21
InChIInChI=1S/C19H19N5O.C2H6/c25-19-15-5-4-13(8-14(15)10-23-19)16-11-22-17(18-20-6-7-24(16)18)21-9-12-2-1-3-12;1-2/h4-8,11-12H,1-3,9-10H2,(H,21,22)(H,23,25);1-2H3
InChIKeyUBAPYGVWRHLTML-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.88
Rot. Bonds4

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

5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane (PubChem CID 91544688) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane.

Molecular Properties

Compound Name5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane
PubChem CID91544688
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane
SMILESCC.O=C1NCc2cc(-c3cnc(NCC4CCC4)c4nccn34)ccc21
InChIInChI=1S/C19H19N5O.C2H6/c25-19-15-5-4-13(8-14(15)10-23-19)16-11-22-17(18-20-6-7-24(16)18)21-9-12-2-1-3-12;1-2/h4-8,11-12H,1-3,9-10H2,(H,21,22)(H,23,25);1-2H3
InChIKeyUBAPYGVWRHLTML-UHFFFAOYSA-N
XLogP3.88
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 25115382
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
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid
CID 126475364
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
N-(cyclopropylmethyl)-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126472770
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 24990032
N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988165
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046113
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521

Frequently Asked Questions

What is the IUPAC name of 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane?
The IUPAC name of 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane (CID 91544688) is 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane.
What is the SMILES notation for 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane?
The canonical SMILES for 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane is CC.O=C1NCc2cc(-c3cnc(NCC4CCC4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane?
The InChIKey is UBAPYGVWRHLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C2H6/c25-19-15-5-4-13(8-14(15)10-23-19)16-11-22-17(18-20-6-7-24(16)18)21-9-12-2-1-3-12;1-2/h4-8,11-12H,1-3,9-10H2,(H,21,22)(H,23,25);1-2H3.
What are the key properties of 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane?
5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane has a molecular weight of 363.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane is sourced from PubChem (CID 91544688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).