About [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol
[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol (PubChem CID 161261546) has the molecular formula C91H111F5N24O13Si
and a molecular weight of 1872.12 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol.
Frequently Asked Questions
What is the IUPAC name of [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol (CID 161261546) is [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol is C#Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)C2(C)C)n2ncnc(N)c12.C#Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@@]2(C)F)n2ncnc(N)c12.C#Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12.C#Cc1cc([C@@H]2O[C@H](CO)[C@@H](F)C2(C)C)n2ncnc(N)c12.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C#C[Si](C)(C)C)c3c(N)ncnn23)[C@]1(C)F.Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2nc(N)[nH]c(=O)c12.
What is the InChIKey of [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol?
The InChIKey is VCPPSEBNKQQNLJ-WGOXHPESSA-N. The full InChI is InChI=1S/C18H25FN4O2Si.C16H20N4O2.2C15H17FN4O2.C14H15FN4O2.C13H17FN4O3/c1-11-14(9-24)25-16(18(11,2)19)13-8-12(6-7-26(3,4)5)15-17(20)21-10-22-23(13)15;1-5-10-6-11(20-13(10)15(17)18-8-19-20)14-16(3,4)9(2)12(7-21)22-14;1-4-8-5-9(20-11(8)14(17)18-7-19-20)13-15(2,3)12(16)10(6-21)22-13;1-4-9-5-10(20-12(9)14(17)18-7-19-20)13-15(3,16)8(2)11(6-21)22-13;1-3-8-4-9(19-12(8)14(16)17-6-18-19)13-11(15)7(2)10(5-20)21-13;1-5-3-7(11-9(14)6(2)8(4-19)21-11)18-10(5)12(20)16-13(15)17-18/h8,10-11,14,16,24H,9H2,1-5H3,(H2,20,21,22);1,6,8-9,12,14,21H,7H2,2-4H3,(H2,17,18,19);1,5,7,10,12-13,21H,6H2,2-3H3,(H2,17,18,19);1,5,7-8,11,13,21H,6H2,2-3H3,(H2,17,18,19);1,4,6-7,10-11,13,20H,5H2,2H3,(H2,16,17,18);3,6,8-9,11,19H,4H2,1-2H3,(H3,15,16,17,20)/t11-,14-,16+,18-;9-,12-,14+;10-,12-,13+;8-,11-,13+,15-;7-,10-,11-,13+;6-,8-,9-,11+/m111111/s1.
What are the key properties of [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol?
[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol has a molecular weight of 1872.12 g/mol, XLogP of 6.92, 12 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;2-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;[(2S,3R,4R,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 161261546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).