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4-[3-(2-cyclohexyl-ethyl)-6-(4-hydroxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

HCID 136359508
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3c2c(CCC2CCCCC2)nn3C2CCCCO2)CC1
InChIKey
LUBAKFCORGHWIW-UHFFFAOYSA-N
Molecular formula
C35H47N5O5
Average molar mass
617.8 g/mol
Monoisotopic mass
617.35771962

Names & identifiers

Preferred name
4-[3-(2-cyclohexyl-ethyl)-6-(4-hydroxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[3-(2-cyclohexylethyl)-6-(4-hydroxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL14759923LUBAKFCORGHWIW-UHFFFAOYSA-N4-[3-(2-cyclohexyl-ethyl)-6-(4-hydroxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
136359508

Properties

Computed structural propertiesFilling in

XLogP
6.4
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
45
Formal charge
0
Complexity
985

Related reactions

1 records
New reaction record
HRID 82051 reaction equation
HRID 82051As productuspto-grants-2014_09

Compound notes

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