bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol

C96H131F5N28O14 — CID 157278928

About bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol

bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol (PubChem CID 157278928) has the molecular formula C96H131F5N28O14 and a molecular weight of 1996.28 g/mol. Its IUPAC name is bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol.

Molecular Properties

• Compound Name: bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol
• PubChem CID: 157278928
• Molecular Formula: C96H131F5N28O14
• Molecular Weight: 1996.28 g/mol
• Exact Mass: 1995.03
• IUPAC Name: bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol
• SMILES: CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2ccc3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2ccc3c(N)ncnn23)[C@]1(C)F.Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)C2(C)C)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](F)C2(C)C)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](F)C2(C)C)n2ncnc(N)c12
• InChI: InChI=1S/C15H22N4O2.2C14H19FN4O2.C14H20N4O2.3C13H17FN4O2/c1-8-5-10(19-12(8)14(16)17-7-18-19)13-15(3,4)9(2)11(6-20)21-13;2*1-7-4-8(19-10(7)13(16)17-6-18-19)12-14(2,3)11(15)9(5-20)21-12;1-8-11(6-19)20-12(14(8,2)3)9-4-5-10-13(15)16-7-17-18(9)10;1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12;1-13(2)10(14)9(5-19)20-11(13)7-3-4-8-12(15)16-6-17-18(7)8;1-7-10(5-19)20-11(13(7,2)14)8-3-4-9-12(15)16-6-17-18(8)9/h5,7,9,11,13,20H,6H2,1-4H3,(H2,16,17,18);2*4,6,9,11-12,20H,5H2,1-3H3,(H2,16,17,18);4-5,7-8,11-12,19H,6H2,1-3H3,(H2,15,16,17);3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17);3-4,6,9-11,19H,5H2,1-2H3,(H2,15,16,17);3-4,6-7,10-11,19H,5H2,1-2H3,(H2,15,16,17)/t9-,11-,13+;2*9-,11-,12+;8-,11-,12+;7-,9-,10-,12+;9-,10-,11+;7-,10-,11+,13-/m1111111/s1
• InChIKey: AZKXIPLYBIQMGV-RINZUMOLSA-N
• XLogP: 9.20
• TPSA: 599.69 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 14
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1996.28
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol?

The IUPAC name of bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol (CID 157278928) is bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol.

What is the SMILES notation for bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol?

The canonical SMILES for bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol is CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2ccc3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2ccc3c(N)ncnn23)[C@]1(C)F.Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)C2(C)C)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](F)C2(C)C)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@H](CO)[C@@H](F)C2(C)C)n2ncnc(N)c12.

What is the InChIKey of bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol?

The InChIKey is AZKXIPLYBIQMGV-RINZUMOLSA-N. The full InChI is InChI=1S/C15H22N4O2.2C14H19FN4O2.C14H20N4O2.3C13H17FN4O2/c1-8-5-10(19-12(8)14(16)17-7-18-19)13-15(3,4)9(2)11(6-20)21-13;2*1-7-4-8(19-10(7)13(16)17-6-18-19)12-14(2,3)11(15)9(5-20)21-12;1-8-11(6-19)20-12(14(8,2)3)9-4-5-10-13(15)16-7-17-18(9)10;1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12;1-13(2)10(14)9(5-19)20-11(13)7-3-4-8-12(15)16-6-17-18(7)8;1-7-10(5-19)20-11(13(7,2)14)8-3-4-9-12(15)16-6-17-18(8)9/h5,7,9,11,13,20H,6H2,1-4H3,(H2,16,17,18);2*4,6,9,11-12,20H,5H2,1-3H3,(H2,16,17,18);4-5,7-8,11-12,19H,6H2,1-3H3,(H2,15,16,17);3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17);3-4,6,9-11,19H,5H2,1-2H3,(H2,15,16,17);3-4,6-7,10-11,19H,5H2,1-2H3,(H2,15,16,17)/t9-,11-,13+;2*9-,11-,12+;8-,11-,12+;7-,9-,10-,12+;9-,10-,11+;7-,10-,11+,13-/m1111111/s1.

What are the key properties of bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol?

bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol has a molecular weight of 1996.28 g/mol, XLogP of 9.20, 14 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis([(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol is sourced from PubChem (CID 157278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).