Basic information
- Standard SMILES
Cc1nn(C)cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1- InChIKey
NFTCMEYQGNQMFY-JLJPHGGASA-N- Molecular formula
- C22H23FN6O2S
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1h-pyrazole-4-carboxylic acid{(1s,2s,5r)-3-[2-amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-amide
- IUPAC
- N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL1338081NFTCMEYQGNQMFY-JLJPHGGASA-N1,3-dimethyl-1h-pyrazole-4-carboxylic acid{(1s,2s,5r)-3-[2-amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-amide
Database identifiers
- PubChem CID
- 87229700
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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