[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

C121H139F7N34O36P4S — CID 158117316

About [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate (PubChem CID 158117316) has the molecular formula C121H139F7N34O36P4S and a molecular weight of 2934.59 g/mol. Its IUPAC name is [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate.

Molecular Properties

• Compound Name: [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate
• PubChem CID: 158117316
• Molecular Formula: C121H139F7N34O36P4S
• Molecular Weight: 2934.59 g/mol
• Exact Mass: 2932.87
• IUPAC Name: [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate
• SMILES: CCCCCCCOC(=O)[C@H](C)NP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(C)ncnn34)[C@](C)(F)[C@@H]2O1.CC[C@H]1OC(O)(c2cnc3c(C)ncnn23)[C@](C)(F)[C@@H]1C.CSc1nc(N)c2ncc(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)n2n1.Cc1ncnn2c([C@]3(C#N)O[C@@H]4COP(=O)(O)O[C@H]4[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@@H]4COP(=O)(OCOC(=O)OC(C)C)O[C@H]4[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@]3(C)F)cnc12
• InChI: InChI=1S/C26H24FN5O6S.C24H33FN5O6P.C18H21FN5O8P.C14H19FN4O2.C13H15FN5O6P.C13H13FN5O5P.C13H14FN5O3/c1-25(27)19(37-23(34)16-11-7-4-8-12-16)17(14-36-22(33)15-9-5-3-6-10-15)38-26(25,35)18-13-29-21-20(28)30-24(39-2)31-32(18)21;1-5-6-7-8-9-12-33-22(31)17(3)29-37(32)34-13-19-21(36-37)23(4,25)24(14-26,35-19)20-11-10-18-16(2)27-15-28-30(18)20;1-10(2)30-16(25)27-9-29-33(26)28-6-12-14(32-33)17(4,19)18(7-20,31-12)13-5-21-15-11(3)22-8-23-24(13)15;1-5-10-8(2)13(4,15)14(20,21-10)11-6-16-12-9(3)17-7-18-19(11)12;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10(20)8(25-13)4-24-26(21,22)23;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10-8(23-13)4-22-25(20,21)24-10;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10(21)8(4-20)22-13/h3-13,17,19,35H,14H2,1-2H3,(H2,28,30,31);10-11,15,17,19,21H,5-9,12-13H2,1-4H3,(H,29,32);5,8,10,12,14H,6,9H2,1-4H3;6-8,10,20H,5H2,1-4H3;3,6,8,10,20H,4H2,1-2H3,(H2,21,22,23);3,6,8,10H,4H2,1-2H3,(H,20,21);3,6,8,10,20-21H,4H2,1-2H3/t17-,19-,25-,26?;17-,19+,21+,23+,24-,37?;12-,14-,17-,18+,33?;8-,10-,13-,14?;3*8-,10-,12-,13+/m1011111/s1
• InChIKey: FREBVHYVFBMLSV-DXDXEGCASA-N
• XLogP: 10.95
• TPSA: 928.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 67
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2934.59
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The IUPAC name of [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate (CID 158117316) is [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate.

What is the SMILES notation for [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The canonical SMILES for [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate is CCCCCCCOC(=O)[C@H](C)NP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(C)ncnn34)[C@](C)(F)[C@@H]2O1.CC[C@H]1OC(O)(c2cnc3c(C)ncnn23)[C@](C)(F)[C@@H]1C.CSc1nc(N)c2ncc(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)n2n1.Cc1ncnn2c([C@]3(C#N)O[C@@H]4COP(=O)(O)O[C@H]4[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@@H]4COP(=O)(OCOC(=O)OC(C)C)O[C@H]4[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@]3(C)F)cnc12.

What is the InChIKey of [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The InChIKey is FREBVHYVFBMLSV-DXDXEGCASA-N. The full InChI is InChI=1S/C26H24FN5O6S.C24H33FN5O6P.C18H21FN5O8P.C14H19FN4O2.C13H15FN5O6P.C13H13FN5O5P.C13H14FN5O3/c1-25(27)19(37-23(34)16-11-7-4-8-12-16)17(14-36-22(33)15-9-5-3-6-10-15)38-26(25,35)18-13-29-21-20(28)30-24(39-2)31-32(18)21;1-5-6-7-8-9-12-33-22(31)17(3)29-37(32)34-13-19-21(36-37)23(4,25)24(14-26,35-19)20-11-10-18-16(2)27-15-28-30(18)20;1-10(2)30-16(25)27-9-29-33(26)28-6-12-14(32-33)17(4,19)18(7-20,31-12)13-5-21-15-11(3)22-8-23-24(13)15;1-5-10-8(2)13(4,15)14(20,21-10)11-6-16-12-9(3)17-7-18-19(11)12;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10(20)8(25-13)4-24-26(21,22)23;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10-8(23-13)4-22-25(20,21)24-10;1-7-11-16-3-9(19(11)18-6-17-7)13(5-15)12(2,14)10(21)8(4-20)22-13/h3-13,17,19,35H,14H2,1-2H3,(H2,28,30,31);10-11,15,17,19,21H,5-9,12-13H2,1-4H3,(H,29,32);5,8,10,12,14H,6,9H2,1-4H3;6-8,10,20H,5H2,1-4H3;3,6,8,10,20H,4H2,1-2H3,(H2,21,22,23);3,6,8,10H,4H2,1-2H3,(H,20,21);3,6,8,10,20-21H,4H2,1-2H3/t17-,19-,25-,26?;17-,19+,21+,23+,24-,37?;12-,14-,17-,18+,33?;8-,10-,13-,14?;3*8-,10-,12-,13+/m1011111/s1.

What are the key properties of [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate has a molecular weight of 2934.59 g/mol, XLogP of 10.95, 31 rotatable bonds, 10 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;(4aR,6R,7R,7aR)-7-fluoro-2-hydroxy-7-methyl-6-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R)-5-(4-amino-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R,5R)-5-cyano-4-fluoro-3-hydroxy-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-ol;(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbonitrile;heptyl (2S)-2-[[(4aR,6R,7R,7aR)-6-cyano-7-fluoro-7-methyl-6-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate is sourced from PubChem (CID 158117316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).