Basic information
- Standard SMILES
CC(C)[C@H](C)n1cnnc1-c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1- InChIKey
LJBNZKANULVRKJ-HNNXBMFYSA-N- Molecular formula
- C23H25N7OS
- Average molar mass
- 447.6 g/mol
Names & identifiers
- Preferred name
- (S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-N-(5-(4-(3-methylbutan-2-yl)-4H-1,2,4-triazol-3-yl)thiophen-3-yl)picolinamide
- IUPAC
- 4-(4-cyclopropylimidazol-1-yl)-N-[5-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]thiophen-3-yl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL231878USRE48150, Compound 5LJBNZKANULVRKJ-HNNXBMFYSA-NBDBM457809(S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-N-(5-(4-(3-methylbutan-2-yl)-4H-1,2,4-triazol-3-yl)thiophen-3-yl)picolinamide
Database identifiers
- PubChem CID
- 56597393
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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