Msc-2360844
[6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
Molecular Identity
Msc-2360844
[6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID: 66580799
2D Structure
Properties
C26H27FN4O5S
Molecular Formula
526.60
Molecular Weight
g/mol
526.1686
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
914
Complexity
SMILES
Canonical SMILES
SMILES: C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6Isomeric SMILES
SMILES: C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6Synonyms(20)
roginolisibIOA-244MSC-2360844Ioa 244IOA-244 [WHO-DD]compound 339 [US9073940][6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-ylmethanonecompound 1 [WO2022207646A1]Methanone, [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl-compound 339 (US9073940)compound 1 (WO2022207646A1)(6-Fluoro-1,4-dihydro-1-(4-(4-morpholinylmethyl)phenyl)-5,5-dioxido(1)benzothiopyrano(4,3-C)pyrazol-3-yl)-4-morpholinylmethanone[6-Fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinylmethanone6-Fluoro-1-(4-((morpholin-4-yl)methyl)phenyl)-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno(4,3-C)pyrazole-5,5-dione6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione
Data from PubChem (NCBI)
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