Basic information
- Standard SMILES
COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)c1OC- InChIKey
DZUZGGJWSCEUDT-UHFFFAOYSA-N- Molecular formula
- C29H34N6O3
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.26923897
Names & identifiers
- Preferred name
- 2-(4-{4-[8-(2,3-Dimethoxy-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidin-1-yl)-N,N-dimethyl-acetamide
- IUPAC
- 2-[4-[4-[[8-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide
Names & synonyms
SCHEMBL2640472CHEMBL3645069BDBM99837DZUZGGJWSCEUDT-UHFFFAOYSA-NUS8501936, 3552-(4-{4-[8-(2,3-Dimethoxy-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidin-1-yl)-N,N-dimethyl-acetamide
Database identifiers
- PubChem CID
- 59612468
- ChEMBL
CHEMBL3645069
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 755
Related reactions
3 records
Compound notes
Loading…