Benzyl-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine

HCID 66548628
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Basic information

Standard SMILES
CN1CCN(c2nccn3c(-c4ccnc(NCc5ccccc5)n4)cnc23)CC1
InChIKey
ACLGRXGCXCAAIJ-UHFFFAOYSA-N
Molecular formula
C22H24N8
Average molar mass
400.5 g/mol
Monoisotopic mass
400.2123928

Names & identifiers

Preferred name
Benzyl-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
IUPAC
N-benzyl-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine

Names & synonyms

CHEMBL3656358SCHEMBL12272706ACLGRXGCXCAAIJ-UHFFFAOYSA-NBDBM119344US8673905, 57benzyl-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine

Database identifiers

PubChem CID
66548628
ChEMBL
CHEMBL3656358

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
74.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

1 records
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Compound notes

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