Susineridine
(4S,6S)-6-propan-2-yl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
Molecular Identity
Susineridine
(4S,6S)-6-propan-2-yl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
PubChem CID: 156805932
2D Structure
Properties
C25H36N4O
Molecular Formula
408.60
Molecular Weight
g/mol
408.2889
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
52
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1CC(C2=CC=NN12)NCCC3(CCOC4(C3)CCCC4)C5=CC=CC=N5Isomeric SMILES
SMILES: CC(C)[C@@H]1C[C@@H](C2=CC=NN12)NCC[C@]3(CCOC4(C3)CCCC4)C5=CC=CC=N5Synonyms(9)
Susineridinesusineridine [INN]UNK82E88UZSCHEMBL23660540SCHEMBL29431087YZJ-4729(4S,6S)-5,6-Dihydro-6-(1-methylethyl)-N-[2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethyl]-4H-pyrrolo[1,2-b]pyrazol-4-amine(4S,6S)-6-(propan-2-yl)-N-{2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine2667632-87-1
Data from PubChem (NCBI)
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