tert-butyl 5-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

HCID 89923255
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C#N)cc(N2CCC3C(CCN3C(=O)OC(C)(C)C)C2)c1Cl
InChIKey
WYOQCDAATMGLEC-UHFFFAOYSA-N
Molecular formula
C24H33ClN4O4
Average molar mass
477 g/mol

Names & identifiers

Preferred name
tert-butyl 5-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
IUPAC
tert-butyl 5-[2-chloro-5-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate

Names & synonyms

SCHEMBL15414581WYOQCDAATMGLEC-UHFFFAOYSA-Ntert-butyl 5-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Database identifiers

PubChem CID
89923255

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
94.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

Related reactions

2 records
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Compound notes

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