Basic information
- Standard SMILES
Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCCCC3)n([C@H]3CCCc4ccccc43)c2n1- InChIKey
UHVCGEJSRCZRBQ-DACFSCGWSA-N- Molecular formula
- C29H32N4O
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- (2E)-3-{3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-N-cyclohexylprop-2-enamide
- IUPAC
- (E)-3-[3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolo[2,3-b]pyridin-2-yl]-N-cyclohexylprop-2-enamide
Names & synonyms
SCHEMBL4491994UHVCGEJSRCZRBQ-DACFSCGWSA-N(2E)-3-{3-cyano-4,6-dimethyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-N-cyclohexylprop-2-enamide
Database identifiers
- PubChem CID
- 69064475
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 795
Related reactions
1 records
Compound notes
Loading…