Basic information
- Standard SMILES
CC(C)Oc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)c(C(N)=O)cc2F)n[nH]1- InChIKey
MQCPQLPGDBXBCK-UHFFFAOYSA-N- Molecular formula
- C20H22F2N6O3
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.17214491
Names & identifiers
- Preferred name
- 5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyridine-3-carboxamide
- IUPAC
- 5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyridine-3-carboxamide
Names & synonyms
SCHEMBL5033895
Database identifiers
- PubChem CID
- 69287412
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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