About 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 156517725) has the molecular formula C37H42FN7O8S
and a molecular weight of 763.85 g/mol. Its IUPAC name is 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
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Frequently Asked Questions
What is the IUPAC name of 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 156517725) is 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is Cn1c(=O)n(C2CCC(=O)NC2)c2ccc(C3CCN(CC(=O)N4CC[C@@H](COc5ccc6cc(O)c(N7CC(=O)NS7(=O)=O)c(F)c6c5)C4)CC3)cc21.
What is the InChIKey of 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is YUCOJNNZGLBEGH-FPSALIRRSA-N. The full InChI is InChI=1S/C37H42FN7O8S/c1-41-30-14-24(3-6-29(30)45(37(41)50)26-4-7-32(47)39-17-26)23-9-11-42(12-10-23)20-34(49)43-13-8-22(18-43)21-53-27-5-2-25-15-31(46)36(35(38)28(25)16-27)44-19-33(48)40-54(44,51)52/h2-3,5-6,14-16,22-23,26,46H,4,7-13,17-21H2,1H3,(H,39,47)(H,40,48)/t22-,26?/m1/s1.
What are the key properties of 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 763.85 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-fluoro-3-hydroxy-7-[[(3R)-1-[2-[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]acetyl]pyrrolidin-3-yl]methoxy]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 156517725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).