2-(5-fluoro-indazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
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Basic information
- Standard SMILES
CC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4cc(F)ccc43)nc12- InChIKey
ZXFUFWOQNXHJOI-UHFFFAOYSA-N- Molecular formula
- C18H17FN6O2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.13970197
Names & identifiers
- Preferred name
- 2-(5-fluoro-indazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
- IUPAC
- 2-(5-fluoroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14744524ZXFUFWOQNXHJOI-UHFFFAOYSA-N2-(5-fluoro-indazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
Database identifiers
- PubChem CID
- 71284019
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
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Related reactions
1 records
Compound notes
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