Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(-c3nn(CCC4COC(C)(C)O4)c4cc(F)ccc34)nc12- InChIKey
MKDCHBKHKHNURM-UHFFFAOYSA-N- Molecular formula
- C44H43FN6O3
- Average molar mass
- 722.8 g/mol
- Monoisotopic mass
- 722.33806742
Names & identifiers
- Preferred name
- N-tert-butyl-2-(1-(2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl)-6-fluoro-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
- IUPAC
- N-tert-butyl-2-[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-6-fluoroindazol-3-yl]-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14737195MKDCHBKHKHNURM-UHFFFAOYSA-NN-tert-butyl-2-(1-(2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl)-6-fluoro-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 71279519
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
2 records
Compound notes
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