Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCS(C)(=O)=O)c4cc(F)ccc34)nc12- InChIKey
RGIPZCBZGRZGDB-UHFFFAOYSA-N- Molecular formula
- C22H25FN6O3S
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- N-tert-butyl-2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
- IUPAC
- N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
CHEMBL2347989SCHEMBL14737066RGIPZCBZGRZGDB-UHFFFAOYSA-NBDBM50431371N-tert-butyl-2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 71279423
- ChEMBL
CHEMBL2347989
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
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