[5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-amine
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Basic information
- Standard SMILES
CN1CCN(Cc2ccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1- InChIKey
YMEIWXZVPITMOT-UHFFFAOYSA-N- Molecular formula
- C25H28N6O2S
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- [5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-amine
- IUPAC
- N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Names & synonyms
SCHEMBL2640562CHEMBL3642315BDBM99587YMEIWXZVPITMOT-UHFFFAOYSA-NUS8501936, 86[5-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-amine
Database identifiers
- PubChem CID
- 59612439
- ChEMBL
CHEMBL3642315
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 752
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Related reactions
3 records
Compound notes
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