Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCC(O)CO)c4cc(F)ccc34)nc12- InChIKey
SRGSOSLNVCMQMS-UHFFFAOYSA-N- Molecular formula
- C22H25FN6O3
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.19721684
Names & identifiers
- Preferred name
- N-tert-butyl-2-(1-(3,4-dihydroxybutyl)-6-fluoro-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
- IUPAC
- N-tert-butyl-2-[1-(3,4-dihydroxybutyl)-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
CHEMBL2347991SCHEMBL14737227SRGSOSLNVCMQMS-UHFFFAOYSA-NBDBM50431370N-tert-butyl-2-(1-(3,4-dihydroxybutyl)-6-fluoro-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 71279543
- ChEMBL
CHEMBL2347991
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
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