Basic information
- Standard SMILES
CN1Cc2ccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2C1- InChIKey
BPBXDXBTPQWBBQ-UHFFFAOYSA-N- Molecular formula
- C24H27N7O2S
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- N-Methyl-N-(2-{[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino]-methyl}-phenyl)-methanesulfonamide
- IUPAC
- N-methyl-N-[2-[[[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL2640301CHEMBL3642388BDBM99666BPBXDXBTPQWBBQ-UHFFFAOYSA-NUS8501936, 167N-Methyl-N-(2-{[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino]-methyl}-phenyl)-methanesulfonamide
Database identifiers
- PubChem CID
- 59612560
- ChEMBL
CHEMBL3642388
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 793
Related reactions
3 records
Compound notes
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