Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)CC1- InChIKey
LVTFLPZEAOMZTB-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 4-{-4-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2275363LVTFLPZEAOMZTB-UHFFFAOYSA-N4-{-4-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 44206267
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 730
Related reactions
1 records
Compound notes
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