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

C90H119F2N37O17 — CID 157475171

IUPAC[(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@H]1[C@H](F)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](O)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](c2ccc3c(N)ncnn23)O[C@@](CO)(N=[N+]=[N-])[C@H]1C.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@@H]2O)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@H]2C)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](C)[C@@H]2O)n2ncnc(N)c12
InChIInChI=1S/C14H19N7O2.C13H17FN4O2.C13H17N7O3.C13H17N7O2.C13H18N4O3.C12H15FN4O2.C12H16N4O3/c1-7-4-10(21-11(7)13(15)17-6-18-21)12-8(2)9(3)14(5-22,23-12)19-20-16;1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12;1-6-3-8(20-9(6)12(14)16-5-17-20)11-10(22)7(2)13(4-21,23-11)18-19-15;1-7-8(2)13(5-21,18-19-15)22-11(7)9-3-4-10-12(14)16-6-17-20(9)10;1-6-3-8(17-10(6)13(14)15-5-16-17)12-11(19)7(2)9(4-18)20-12;1-6-9(4-18)19-11(10(6)13)7-2-3-8-12(14)15-5-16-17(7)8;1-6-9(4-17)19-11(10(6)18)7-2-3-8-12(13)14-5-15-16(7)8/h4,6,8-9,12,22H,5H2,1-3H3,(H2,15,17,18);3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17);3,5,7,10-11,21-22H,4H2,1-2H3,(H2,14,16,17);3-4,6-8,11,21H,5H2,1-2H3,(H2,14,16,17);3,5,7,9,11-12,18-19H,4H2,1-2H3,(H2,14,15,16);2-3,5-6,9-11,18H,4H2,1H3,(H2,14,15,16);2-3,5-6,9-11,17-18H,4H2,1H3,(H2,13,14,15)/t8-,9+,12-,14-;7-,9-,10+,12+;7-,10-,11-,13+;7-,8+,11-,13-;7-,9-,11+,12+;2*6-,9-,10+,11+/m1101111/s1
InChIKeyBVMRJBJZKZNFKS-NJUKAGQWSA-N
MW2029.18 g/mol
LogP5.84
Rot. Bonds17

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

[(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 157475171) has the molecular formula C90H119F2N37O17 and a molecular weight of 2029.18 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID157475171
Molecular FormulaC90H119F2N37O17
Molecular Weight2029.18 g/mol
Exact Mass2027.96
IUPAC Name[(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@H]1[C@H](F)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](O)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](c2ccc3c(N)ncnn23)O[C@@](CO)(N=[N+]=[N-])[C@H]1C.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@@H]2O)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@H]2C)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](C)[C@@H]2O)n2ncnc(N)c12
InChIInChI=1S/C14H19N7O2.C13H17FN4O2.C13H17N7O3.C13H17N7O2.C13H18N4O3.C12H15FN4O2.C12H16N4O3/c1-7-4-10(21-11(7)13(15)17-6-18-21)12-8(2)9(3)14(5-22,23-12)19-20-16;1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12;1-6-3-8(20-9(6)12(14)16-5-17-20)11-10(22)7(2)13(4-21,23-11)18-19-15;1-7-8(2)13(5-21,18-19-15)22-11(7)9-3-4-10-12(14)16-6-17-20(9)10;1-6-3-8(17-10(6)13(14)15-5-16-17)12-11(19)7(2)9(4-18)20-12;1-6-9(4-18)19-11(10(6)13)7-2-3-8-12(14)15-5-16-17(7)8;1-6-9(4-17)19-11(10(6)18)7-2-3-8-12(13)14-5-15-16(7)8/h4,6,8-9,12,22H,5H2,1-3H3,(H2,15,17,18);3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17);3,5,7,10-11,21-22H,4H2,1-2H3,(H2,14,16,17);3-4,6-8,11,21H,5H2,1-2H3,(H2,14,16,17);3,5,7,9,11-12,18-19H,4H2,1-2H3,(H2,14,15,16);2-3,5-6,9-11,18H,4H2,1H3,(H2,14,15,16);2-3,5-6,9-11,17-18H,4H2,1H3,(H2,13,14,15)/t8-,9+,12-,14-;7-,9-,10+,12+;7-,10-,11-,13+;7-,8+,11-,13-;7-,9-,11+,12+;2*6-,9-,10+,11+/m1101111/s1
InChIKeyBVMRJBJZKZNFKS-NJUKAGQWSA-N
XLogP5.84
TPSA806.66 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds17
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002029.18
LogP ≤ 55.84
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol (CID 157475171) is [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol is C[C@H]1[C@H](F)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](O)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@H](c2ccc3c(N)ncnn23)O[C@@](CO)(N=[N+]=[N-])[C@H]1C.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@@H]2O)n2ncnc(N)c12.Cc1cc([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](C)[C@H]2C)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](C)[C@@H]2O)n2ncnc(N)c12.
What is the InChIKey of [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is BVMRJBJZKZNFKS-NJUKAGQWSA-N. The full InChI is InChI=1S/C14H19N7O2.C13H17FN4O2.C13H17N7O3.C13H17N7O2.C13H18N4O3.C12H15FN4O2.C12H16N4O3/c1-7-4-10(21-11(7)13(15)17-6-18-21)12-8(2)9(3)14(5-22,23-12)19-20-16;1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12;1-6-3-8(20-9(6)12(14)16-5-17-20)11-10(22)7(2)13(4-21,23-11)18-19-15;1-7-8(2)13(5-21,18-19-15)22-11(7)9-3-4-10-12(14)16-6-17-20(9)10;1-6-3-8(17-10(6)13(14)15-5-16-17)12-11(19)7(2)9(4-18)20-12;1-6-9(4-18)19-11(10(6)13)7-2-3-8-12(14)15-5-16-17(7)8;1-6-9(4-17)19-11(10(6)18)7-2-3-8-12(13)14-5-15-16(7)8/h4,6,8-9,12,22H,5H2,1-3H3,(H2,15,17,18);3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17);3,5,7,10-11,21-22H,4H2,1-2H3,(H2,14,16,17);3-4,6-8,11,21H,5H2,1-2H3,(H2,14,16,17);3,5,7,9,11-12,18-19H,4H2,1-2H3,(H2,14,15,16);2-3,5-6,9-11,18H,4H2,1H3,(H2,14,15,16);2-3,5-6,9-11,17-18H,4H2,1H3,(H2,13,14,15)/t8-,9+,12-,14-;7-,9-,10+,12+;7-,10-,11-,13+;7-,8+,11-,13-;7-,9-,11+,12+;2*6-,9-,10+,11+/m1101111/s1.
What are the key properties of [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol?
[(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 2029.18 g/mol, XLogP of 5.84, 17 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 157475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).