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Basic information
- Standard SMILES
CN1CCN(c2cccc(Nc3nc4c(NCc5cccnc5)cccn4n3)c2)CC1- InChIKey
RMJDDGNSIYCSCQ-UHFFFAOYSA-N- Molecular formula
- C23H26N8
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.22804286
Names & identifiers
- Preferred name
- N(2)-[3-(4-Methyl-piperazin-1-yl)-phenyl]-N(8)-pyridin-3-ylmethyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
- IUPAC
- 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Names & synonyms
SCHEMBL2635231CHEMBL3642376BDBM99652RMJDDGNSIYCSCQ-UHFFFAOYSA-NUS8501936, 153N(2)-[3-(4-Methyl-piperazin-1-yl)-phenyl]-N(8)-pyridin-3-ylmethyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Database identifiers
- PubChem CID
- 59612450
- ChEMBL
CHEMBL3642376
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 554
Related reactions
3 records
Compound notes
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