n-(2,6-Difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HCID 59452811
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Basic information

Standard SMILES
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
InChIKey
BLMVXEUFSWMMGH-UHFFFAOYSA-N
Molecular formula
C40H40F2N8O3
Average molar mass
718.8 g/mol

Names & identifiers

Preferred name
n-(2,6-Difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
IUPAC
N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

Names & synonyms

SCHEMBL310755CHEMBL3969290BLMVXEUFSWMMGH-UHFFFAOYSA-Nn-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Database identifiers

PubChem CID
59452811
ChEMBL
CHEMBL3969290

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
53

Related reactions

1 records
New reaction record

Compound notes

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