TLR7/8-IN-1
(3S)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide
Molecular Identity
TLR7/8-IN-1
(3S)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide
PubChem CID: 134330557
2D Structure
Properties
C29H40N8O2
Molecular Formula
532.70
Molecular Weight
g/mol
532.3274
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
895
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TLR7/8-IN-12205095-75-4MHV370CHEMBL5417170MHV-370(S)-N-(4-((5-(1,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-3-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methyl)bicyclo[2.2.2]octan-1-yl)morpholine-3-carboxamide(3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide(3S)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamideWGB3V7X9VTorb1692327SCHEMBL19953282SCHEMBL29786235GLXC-27661EX-A7980BDBM50627976
Data from PubChem (NCBI)
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