6-{4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-yl}-5H-pyrrolo[2,3-b]pyrazine

HCID 59837460
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Basic information

Standard SMILES
c1cnc2[nH]c(C3(c4ccc(OCCCN5CCCC5)cc4)CCOCC3)cc2n1
InChIKey
CPSRSPJNTLCEQG-UHFFFAOYSA-N
Molecular formula
C24H30N4O2
Average molar mass
406.5 g/mol
Monoisotopic mass
406.23687621

Names & identifiers

Preferred name
6-{4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-yl}-5H-pyrrolo[2,3-b]pyrazine
IUPAC
6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine

Names & synonyms

SCHEMBL3272918CPSRSPJNTLCEQG-UHFFFAOYSA-N6-{4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-yl}-5H-pyrrolo[2,3-b]pyrazine

Database identifiers

PubChem CID
59837460

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
30

Related reactions

1 records
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Compound notes

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