Basic information
- Standard SMILES
COc1ccccc1CNc1cccn2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc12- InChIKey
IVIRENTUOCBACV-UHFFFAOYSA-N- Molecular formula
- C25H29N7O
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.24335855
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[1,5-a]pyridine-2,8-diamine, N8-[(2-methoxyphenyl)methyl]-N2-[4-(4-methyl-1-piperazinyl)phenyl]-
- IUPAC
- 8-N-[(2-methoxyphenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Names & synonyms
SCHEMBL2640425CHEMBL3645094BDBM99868IVIRENTUOCBACV-UHFFFAOYSA-NDTXSID301107913[1,2,4]Triazolo[1,5-a]pyridine-2,8-diamine, N8-[(2-methoxyphenyl)methyl]-N2-[4-(4-methyl-1-piperazinyl)phenyl]-1257709-50-4US8501936, 387N(8)-(2-Methoxy-benzyl)-N(2)-[4-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Database identifiers
- CAS
1257709-50-4- PubChem CID
- 59612401
- DTXSID
DTXSID301107913- ChEMBL
CHEMBL3645094
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Linked notes
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