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Basic information
- Standard SMILES
CC[C@@H](Nc1nc(Nc2ccc(C)cc2)c(C#N)cc1F)C1(NC(=O)OCc2ccccc2)CC1- InChIKey
LURFGIHGHBJALI-HSZRJFAPSA-N- Molecular formula
- C27H28FN5O2
- Average molar mass
- 473.5 g/mol
Names & identifiers
- Preferred name
- (R)-benzyl 1-(1-(5-cyano-3-fluoro-6-(p-tolylamino)pyridin-2-ylamino)propyl)cyclopropylcarbamate
- IUPAC
- benzyl N-[1-[(1R)-1-[[5-cyano-3-fluoro-6-(4-methylanilino)-2-pyridinyl]amino]propyl]cyclopropyl]carbamate
Names & synonyms
SCHEMBL5027733LURFGIHGHBJALI-HSZRJFAPSA-N(R)-benzyl 1-(1-(5-cyano-3-fluoro-6-(p-tolylamino)pyridin-2-ylamino)propyl)cyclopropylcarbamate
Database identifiers
- PubChem CID
- 69284875
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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