Basic information
- Standard SMILES
CC(=O)N[C@H]1CCN(c2cc(Nc3cnccn3)nc(N[C@@H](C)c3ccc(F)cc3)c2)C1- InChIKey
RZIIYSCCNOMFQO-KXBFYZLASA-N- Molecular formula
- C23H26FN7O
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- N-((S)-1-[2-([(S)-1-(4-fluorophenyl)ethyl]amino)-6-(pyrazin-2-ylamino)pyridin-4-yl]pyrrolidin-3-yl)acetamide
- IUPAC
- N-[(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-3-yl]acetamide
Names & synonyms
N-((S)-1-[2-([(S)-1-(4-fluorophenyl)ethyl]amino)-6-(pyrazin-2-ylamino)pyridin-4-yl]pyrrolidin-3-yl)acetamideN-{(S)-1-[2-{[(S)-1-(4-fluorophenyl)ethyl]amino}-6-(pyrazin-2-ylamino)pyridin-4-yl]pyrrolidin-3-yl}acetamideSCHEMBL1365385SCHEMBL30007111RZIIYSCCNOMFQO-KXBFYZLASA-N
Database identifiers
- PubChem CID
- 56599595
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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