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
- Formal charge
- 0
- Complexity
- 808
Related reactions
3 records
Compound notes
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