N-Methyl-N-(3-{2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-benzyl)-methanesulfonamide

HCID 59612480

Basic information

Standard SMILES
CN1CCN(c2ccc(Nc3nc4c(-c5cccc(CN(C)S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey
PRWKEOMWFRTULJ-UHFFFAOYSA-N
Molecular formula
C26H31N7O2S
Average molar mass
505.6 g/mol
Monoisotopic mass
505.22599443

Names & identifiers

Preferred name
N-Methyl-N-(3-{2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-benzyl)-methanesulfonamide
IUPAC
N-methyl-N-[[3-[2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]methanesulfonamide

Names & synonyms

SCHEMBL2634736CHEMBL3642396BDBM99674PRWKEOMWFRTULJ-UHFFFAOYSA-NUS8501936, 175N-Methyl-N-(3-{2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-benzyl)-methanesulfonamide

Database identifiers

PubChem CID
59612480
ChEMBL
CHEMBL3642396

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
94.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

Related reactions

3 records

Compound notes

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