Basic information
- Standard SMILES
OC1CC(c2ccc(F)cc2Cl)c2nc(NC3CCN(c4ccnc(Cl)c4)CC3)nn2C1- InChIKey
NOKSHWVPVQAODJ-UHFFFAOYSA-N- Molecular formula
- C22H23Cl2FN6O
- Average molar mass
- 477.4 g/mol
Names & identifiers
- Preferred name
- 8-(2-Chloro-4-fluorophenyl)-2-(1-(2-chloropyridin-4-yl)piperidin-4-ylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
- IUPAC
- 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
Names & synonyms
SCHEMBL2272154NOKSHWVPVQAODJ-UHFFFAOYSA-N8-(2-Chloro-4-fluorophenyl)-2-(1-(2-chloropyridin-4-yl)piperidin-4-ylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
Database identifiers
- PubChem CID
- 58397922
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
Loading…