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

C65H81F7I2N20O10 — CID 90694732

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

[(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (PubChem CID 90694732) has the molecular formula C65H81F7I2N20O10 and a molecular weight of 1689.29 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
• PubChem CID: 90694732
• Molecular Formula: C65H81F7I2N20O10
• Molecular Weight: 1689.29 g/mol
• Exact Mass: 1688.44
• IUPAC Name: [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
• SMILES: CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(F)c2c(N)ncnn12.CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(I)c2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(F)c3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(F)c3c(N)ncnn23)[C@]1(C)F.C[C@H]1[C@@H](F)[C@H](c2cc(I)c3c(N)ncnn23)O[C@@H]1CO
• InChI: InChI=1S/C14H19FN4O2.2C13H16F2N4O2.C13H16FIN4O2.C12H14FIN4O2/c1-7-10(5-20)21-12(14(7,2)3)9-4-8(15)11-13(16)17-6-18-19(9)11;1-13(2)10(15)8(4-20)21-11(13)7-3-6(14)9-12(16)17-5-18-19(7)9;1-6-9(4-20)21-11(13(6,2)15)8-3-7(14)10-12(16)17-5-18-19(8)10;1-13(2)10(14)8(4-20)21-11(13)7-3-6(15)9-12(16)17-5-18-19(7)9;1-5-8(3-19)20-11(9(5)13)7-2-6(14)10-12(15)16-4-17-18(7)10/h4,6-7,10,12,20H,5H2,1-3H3,(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H2,16,17,18);3,5-6,9,11,20H,4H2,1-2H3,(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H2,16,17,18);2,4-5,8-9,11,19H,3H2,1H3,(H2,15,16,17)/t7-,10-,12+;8-,10-,11+;6-,9-,11+,13-;8-,10-,11+;5-,8-,9-,11+/m11111/s1
• InChIKey: RSTDOFWDAWKDKH-BUUAJCLVSA-N
• XLogP: 7.07
• TPSA: 428.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.29
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (CID 90694732) is [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.

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

The canonical SMILES for [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(F)c2c(N)ncnn12.CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(I)c2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(F)c3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(F)c3c(N)ncnn23)[C@]1(C)F.C[C@H]1[C@@H](F)[C@H](c2cc(I)c3c(N)ncnn23)O[C@@H]1CO.

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

The InChIKey is RSTDOFWDAWKDKH-BUUAJCLVSA-N. The full InChI is InChI=1S/C14H19FN4O2.2C13H16F2N4O2.C13H16FIN4O2.C12H14FIN4O2/c1-7-10(5-20)21-12(14(7,2)3)9-4-8(15)11-13(16)17-6-18-19(9)11;1-13(2)10(15)8(4-20)21-11(13)7-3-6(14)9-12(16)17-5-18-19(7)9;1-6-9(4-20)21-11(13(6,2)15)8-3-7(14)10-12(16)17-5-18-19(8)10;1-13(2)10(14)8(4-20)21-11(13)7-3-6(15)9-12(16)17-5-18-19(7)9;1-5-8(3-19)20-11(9(5)13)7-2-6(14)10-12(15)16-4-17-18(7)10/h4,6-7,10,12,20H,5H2,1-3H3,(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H2,16,17,18);3,5-6,9,11,20H,4H2,1-2H3,(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H2,16,17,18);2,4-5,8-9,11,19H,3H2,1H3,(H2,15,16,17)/t7-,10-,12+;8-,10-,11+;6-,9-,11+,13-;8-,10-,11+;5-,8-,9-,11+/m11111/s1.

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

[(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol has a molecular weight of 1689.29 g/mol, XLogP of 7.07, 10 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[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-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 90694732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).