1-(((5S,7S)-3-(5-ethoxypyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile

HCID 71227675
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Basic information

Standard SMILES
CCOc1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1
InChIKey
AKQIVKUXPFPXSB-ZEQRLZLVSA-N
Molecular formula
C24H26N6O3
Average molar mass
446.5 g/mol

Names & identifiers

Preferred name
1-(((5S,7S)-3-(5-ethoxypyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile
IUPAC
3-[[(5S,7S)-3-(5-ethoxypyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

Names & synonyms

CHEMBL4469982SCHEMBL14639092SCHEMBL30283885AKQIVKUXPFPXSB-ZEQRLZLVSA-NBDBM505026371-(((5S,7S)-3-(5-ethoxypyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile

Database identifiers

PubChem CID
71227675
ChEMBL
CHEMBL4469982

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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