Basic information
- Standard SMILES
FC(F)(F)COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1- InChIKey
JAMIMEWVKDQCCY-UHFFFAOYSA-N- Molecular formula
- C21H17ClF3N5O
- Average molar mass
- 447.8 g/mol
Names & identifiers
- Preferred name
- [5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethyl]-amine
- IUPAC
- 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridin-2-amine
Names & synonyms
[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethyl]-amineSCHEMBL1267850
Database identifiers
- PubChem CID
- 57619476
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 572
Related reactions
5 records
Compound notes
Loading…