Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)C5(C)CCCCC5)c4n3)cc2)CC1- InChIKey
MXABWRVXAMIMGU-UHFFFAOYSA-N- Molecular formula
- C29H37N5O3
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- 4-{4-[7-(1-Methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2277747MXABWRVXAMIMGU-UHFFFAOYSA-N4-{4-[7-(1-Methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59540697
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 807
Related reactions
4 records
Compound notes
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