Basic information
- Standard SMILES
CNc1c(F)c(Nc2cc(C3CC3)[nH]n2)nc(N[C@@H](C)c2ccc(F)cc2)c1C#N- InChIKey
NKCZFVYKGIALJF-NSHDSACASA-N- Molecular formula
- C21H21F2N7
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- (S)-6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-4-(methylamino)nicotinonitrile
- IUPAC
- 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-4-(methylamino)pyridine-3-carbonitrile
Names & synonyms
SCHEMBL2570507NKCZFVYKGIALJF-NSHDSACASA-N(S)-6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-4-(methylamino)nicotinonitrile
Database identifiers
- PubChem CID
- 11546009
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
Loading…