Basic information
- Standard SMILES
C[C@@H]1CCCN1CCCOc1cnc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC(F)(F)F- InChIKey
MRFRLTOHDQBDSV-MRXNPFEDSA-N- Molecular formula
- C23H29F5N4O2
- Average molar mass
- 488.5 g/mol
Names & identifiers
- Preferred name
- (4,4-Difluoro-piperidin-1-yl)-[5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanone
- IUPAC
- (4,4-difluoropiperidin-1-yl)-[5-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
Names & synonyms
(4,4-Difluoro-piperidin-1-yl)-[5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanoneSCHEMBL2872261
Database identifiers
- PubChem CID
- 68423326
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Compound notes
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