BI-44847
(2S,3R,4S,5S,6R)-2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
BI-44847
(2S,3R,4S,5S,6R)-2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 10181733
2D Structure
Properties
C21H29FN2O7
Molecular Formula
440.50
Molecular Weight
g/mol
440.1959
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
9
H-Bond Acceptors
574
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(15)
BI-44847421592-30-543WJ33399DUNII-43WJ33399DBI 44847 [WHO-DD]RefChem:119609beta-D-Glucopyranoside,4-((2-fluoro-4-methoxyphenyl)methyl)-5-methyl-1-(1-methylethyl)-1H-pyrazol-3-ylBI 44847.BETA.-D-GLUCOPYRANOSIDE,4-((2-FLUORO-4-METHOXYPHENYL)METHYL)-5-METHYL-1-(1-METHYLETHYL)-1H-PYRAZOL-3-YL(2S,3R,4S,5S,6R)-2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolorb1698154SCHEMBL3769381AKOS040750792beta-D-Glucopyranoside,4-((2-fluoro-4-methoxyphenyl)methyl)- 5-methyl-1-(1-methylethyl)-1H-pyrazol-3-yl.BETA.-D-GLUCOPYRANOSIDE,4-((2-FLUORO-4-METHOXYPHENYL)METHYL)- 5-METHYL-1-(1-METHYLETHYL)-1H-PYRAZOL-3-YL
Data from PubChem (NCBI)
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