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

C19H14N6O — CID 59023000

IUPAC5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(Nc4cccnc4)c4nccn34)ccc21
InChIInChI=1S/C19H14N6O/c26-19-15-4-3-12(8-13(15)9-23-19)16-11-22-17(18-21-6-7-25(16)18)24-14-2-1-5-20-10-14/h1-8,10-11H,9H2,(H,22,24)(H,23,26)
InChIKeyLWURHZYCPKECEQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.78
Rot. Bonds3

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

5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 59023000) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID59023000
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(Nc4cccnc4)c4nccn34)ccc21
InChIInChI=1S/C19H14N6O/c26-19-15-4-3-12(8-13(15)9-23-19)16-11-22-17(18-21-6-7-25(16)18)24-14-2-1-5-20-10-14/h1-8,10-11H,9H2,(H,22,24)(H,23,26)
InChIKeyLWURHZYCPKECEQ-UHFFFAOYSA-N
XLogP2.78
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (CID 59023000) is 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3cnc(Nc4cccnc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is LWURHZYCPKECEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c26-19-15-4-3-12(8-13(15)9-23-19)16-11-22-17(18-21-6-7-25(16)18)24-14-2-1-5-20-10-14/h1-8,10-11H,9H2,(H,22,24)(H,23,26).
What are the key properties of 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 342.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 59023000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).