(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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

C114H135F6N28O28P3S — CID 158872819

About (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 158872819) has the molecular formula C114H135F6N28O28P3S and a molecular weight of 2584.48 g/mol. Its IUPAC name is (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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: 158872819
• Molecular Formula: C114H135F6N28O28P3S
• Molecular Weight: 2584.48 g/mol
• Exact Mass: 2582.88
• IUPAC Name: (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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: CC(C)OP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(N)ccnn34)[C@](C)(F)[C@@H]2O1.CCCCCCCOC(=O)C(C)NP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(N)ccnn34)[C@](C)(F)[C@@H]2O1.CC[C@H]1O[C@@](O)(c2cnc3c(C)ncnn23)[C@](C)(F)[C@@H]1C.CSc1nc(N)c2ncc([C@]3(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)(N[C@@H](C)C(=O)OC(C)C)O[C@H]4[C@@]3(C)F)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12
• InChI: InChI=1S/C26H24FN5O6S.C24H33FN5O6P.C20H25FN5O6P.C17H20FN4O5P.C14H19FN4O2.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;1-4-5-6-7-8-13-33-22(31)16(2)29-37(32)34-14-19-21(36-37)23(3,25)24(15-26,35-19)20-10-9-18-17(27)11-12-28-30(18)20;1-11(2)30-18(27)13(4)25-33(28)29-8-15-17(32-33)19(5,21)20(9-22,31-15)16-7-6-14-12(3)23-10-24-26(14)16;1-10(2)26-28(23)24-8-13-15(27-28)16(3,18)17(9-19,25-13)14-5-4-12-11(20)6-7-21-22(12)14;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(21)8(4-20)22-13/h3-13,17,19,35H,14H2,1-2H3,(H2,28,30,31);9-12,16,19,21H,4-8,13-14,27H2,1-3H3,(H,29,32);6-7,10-11,13,15,17H,8H2,1-5H3,(H,25,28);4-7,10,13,15H,8,20H2,1-3H3;6-8,10,20H,5H2,1-4H3;3,6,8,10,20-21H,4H2,1-2H3/t17-,19-,25-,26+;16?,19-,21-,23-,24+,37?;13-,15+,17+,19+,20-,33?;13-,15-,16-,17+,28?;8-,10-,13-,14+;8-,10-,12-,13+/m110111/s1
• InChIKey: JCBCGDSYXURVML-IKVNCISOSA-N
• XLogP: 12.99
• TPSA: 748.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 29
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.48
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 158872819) is (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 CC(C)OP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(N)ccnn34)[C@](C)(F)[C@@H]2O1.CCCCCCCOC(=O)C(C)NP1(=O)OC[C@H]2O[C@@](C#N)(c3ccc4c(N)ccnn34)[C@](C)(F)[C@@H]2O1.CC[C@H]1O[C@@](O)(c2cnc3c(C)ncnn23)[C@](C)(F)[C@@H]1C.CSc1nc(N)c2ncc([C@]3(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)(N[C@@H](C)C(=O)OC(C)C)O[C@H]4[C@@]3(C)F)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12.

What is the InChIKey of (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 JCBCGDSYXURVML-IKVNCISOSA-N. The full InChI is InChI=1S/C26H24FN5O6S.C24H33FN5O6P.C20H25FN5O6P.C17H20FN4O5P.C14H19FN4O2.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;1-4-5-6-7-8-13-33-22(31)16(2)29-37(32)34-14-19-21(36-37)23(3,25)24(15-26,35-19)20-10-9-18-17(27)11-12-28-30(18)20;1-11(2)30-18(27)13(4)25-33(28)29-8-15-17(32-33)19(5,21)20(9-22,31-15)16-7-6-14-12(3)23-10-24-26(14)16;1-10(2)26-28(23)24-8-13-15(27-28)16(3,18)17(9-19,25-13)14-5-4-12-11(20)6-7-21-22(12)14;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(21)8(4-20)22-13/h3-13,17,19,35H,14H2,1-2H3,(H2,28,30,31);9-12,16,19,21H,4-8,13-14,27H2,1-3H3,(H,29,32);6-7,10-11,13,15,17H,8H2,1-5H3,(H,25,28);4-7,10,13,15H,8,20H2,1-3H3;6-8,10,20H,5H2,1-4H3;3,6,8,10,20-21H,4H2,1-2H3/t17-,19-,25-,26+;16?,19-,21-,23-,24+,37?;13-,15+,17+,19+,20-,33?;13-,15-,16-,17+,28?;8-,10-,13-,14+;8-,10-,12-,13+/m110111/s1.

What are the key properties of (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 2584.48 g/mol, XLogP of 12.99, 29 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile;[(2R,3R,4R,5S)-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;(2S,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 2-[[(4aR,6R,7R,7aR)-6-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate;propan-2-yl (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 158872819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).