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Basic information
- Standard SMILES
CN1CCN(c2cccc(Nc3nc4c(OCc5ccccc5C#N)cccn4n3)c2)CC1- InChIKey
OICCSJIWOFIPMZ-UHFFFAOYSA-N- Molecular formula
- C25H25N7O
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.21205845
Names & identifiers
- Preferred name
- 2-{2-[3-(4-Methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yloxymethyl}benzonitrile
- IUPAC
- 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile
Names & synonyms
SCHEMBL2635155CHEMBL3644995BDBM99747OICCSJIWOFIPMZ-UHFFFAOYSA-NUS8501936, 2632-{2-[3-(4-Methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yloxymethyl}benzonitrile
Database identifiers
- PubChem CID
- 59612638
- ChEMBL
CHEMBL3644995
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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