4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one

C21H20N6O2 — CID 24857447

IUPAC4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
InChIKeyYFJPSLNOMOYYLM-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.66
Rot. Bonds4

About 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one

4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one (PubChem CID 24857447) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one
PubChem CID24857447
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
InChIKeyYFJPSLNOMOYYLM-UHFFFAOYSA-N
XLogP2.66
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one (CID 24857447) is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one is O=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one?
The InChIKey is YFJPSLNOMOYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one?
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one has a molecular weight of 388.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 24857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).