Basic information
- Standard SMILES
Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21- InChIKey
UOBRLKNBXFFWRA-UHFFFAOYSA-N- Molecular formula
- C24H24FN5O2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.19140319
Names & identifiers
- Preferred name
- 4-Methyl-2-pyridin-2-yl-pyrimidine-5-carboxylic acid [5-fluoro-3-(3-hydroxy-3-methyl-butyl)-indol-1-yl]-amide
- IUPAC
- N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
Names & synonyms
SCHEMBL12083895UOBRLKNBXFFWRA-UHFFFAOYSA-N4-methyl-2-pyridin-2-yl-pyrimidine-5-carboxylic acid [5-fluoro-3-(3-hydroxy-3-methyl-butyl)-indol-1-yl]-amide
Database identifiers
- PubChem CID
- 59200027
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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