4-{4-[7-(1-Methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

HCID 59540697

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

Related reactions

4 records

Compound notes

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