N-(2,6-difluorophenyl)-3-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)-ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide

HCID 25124151
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Basic information

Standard SMILES
COc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIKey
LHSNLUJLSUOVPY-UHFFFAOYSA-N
Molecular formula
C39H38F2N8O4S
Average molar mass
752.8 g/mol
Monoisotopic mass
752.27047922

Names & identifiers

Preferred name
N-(2,6-difluorophenyl)-3-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)-ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
IUPAC
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

Names & synonyms

SCHEMBL309811CHEMBL3934152LHSNLUJLSUOVPY-UHFFFAOYSA-NN-(2,6-difluorophenyl)-3-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)-ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide

Database identifiers

PubChem CID
25124151
ChEMBL
CHEMBL3934152

Properties

Computed structural properties

XLogP
6
Topological polar surface area
142 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
11
Heavy atoms
54

Related reactions

2 records
New reaction record

Compound notes

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