Basic information
- Standard SMILES
Cc1cc(C)c2c(C#N)c(C=CC(=O)Nc3cccnc3)n(C3CCCc4ccccc43)c2n1- InChIKey
SRZJCVSTGMPVHB-UHFFFAOYSA-N- Molecular formula
- C28H25N5O
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.20591044
Names & identifiers
- Preferred name
- 3-[3-cyano-4,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-ylprop-2-enamide
- IUPAC
- 3-[3-cyano-4,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-ylprop-2-enamide
Names & synonyms
SCHEMBL4493340
Database identifiers
- PubChem CID
- 69065080
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 804
Related reactions
1 records
Compound notes
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