Basic information
- Standard SMILES
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CNC(=O)c1ccno1)c1ccc(F)cc1- InChIKey
VLEDITYNSSIHHG-ZDUSSCGKSA-N- Molecular formula
- C24H23F2N7O2
- Average molar mass
- 479.5 g/mol
Names & identifiers
- Preferred name
- (S)-N-((6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)pyridin-3-yl)methyl)isoxazole-5-carboxamide
- IUPAC
- N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]-1,2-oxazole-5-carboxamide
Names & synonyms
SCHEMBL3421774VLEDITYNSSIHHG-ZDUSSCGKSA-N(S)-N-((6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) pyridin-3-yl)methyl)isoxazole-5-carboxamide(S)-N-((6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)pyridin-3-yl)methyl)isoxazole-5-carboxamide
Database identifiers
- PubChem CID
- 68636299
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
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