4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid

C69H85F4N21O19 — CID 159070978

About 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid

4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid (PubChem CID 159070978) has the molecular formula C69H85F4N21O19 and a molecular weight of 1588.56 g/mol. Its IUPAC name is 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
• PubChem CID: 159070978
• Molecular Formula: C69H85F4N21O19
• Molecular Weight: 1588.56 g/mol
• Exact Mass: 1587.63
• IUPAC Name: 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
• SMILES: CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(C(=O)O)c2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C(=O)O)c3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C(=O)O)c3c(N)ncnn23)[C@]1(C)F.C[C@H]1[C@@H](F)[C@H](c2cc(C(=O)O)c3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@@H](F)[C@H](c2cc(C(N)=O)c3c(N)ncnn23)O[C@@H]1CO
• InChI: InChI=1S/C15H20N4O4.2C14H17FN4O4.C13H16FN5O3.C13H15FN4O4/c1-7-10(5-20)23-12(15(7,2)3)9-4-8(14(21)22)11-13(16)17-6-18-19(9)11;1-14(2)10(15)8(4-20)23-11(14)7-3-6(13(21)22)9-12(16)17-5-18-19(7)9;1-6-9(4-20)23-11(14(6,2)15)8-3-7(13(21)22)10-12(16)17-5-18-19(8)10;1-5-8(3-20)22-11(9(5)14)7-2-6(13(16)21)10-12(15)17-4-18-19(7)10;1-5-8(3-19)22-11(9(5)14)7-2-6(13(20)21)10-12(15)16-4-17-18(7)10/h4,6-7,10,12,20H,5H2,1-3H3,(H,21,22)(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H,21,22)(H2,16,17,18);3,5-6,9,11,20H,4H2,1-2H3,(H,21,22)(H2,16,17,18);2,4-5,8-9,11,20H,3H2,1H3,(H2,16,21)(H2,15,17,18);2,4-5,8-9,11,19H,3H2,1H3,(H,20,21)(H2,15,16,17)/t7-,10-,12+;8-,10-,11+;6-,9-,11+,14-;2*5-,8-,9-,11+/m11111/s1
• InChIKey: JZQKHESYANDCMJ-FXWVMOGCSA-N
• XLogP: 2.95
• TPSA: 620.64 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.56
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid?

The IUPAC name of 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid (CID 159070978) is 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid.

What is the SMILES notation for 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid?

The canonical SMILES for 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid is CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(C(=O)O)c2c(N)ncnn12.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C(=O)O)c3c(N)ncnn23)C1(C)C.C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C(=O)O)c3c(N)ncnn23)[C@]1(C)F.C[C@H]1[C@@H](F)[C@H](c2cc(C(=O)O)c3c(N)ncnn23)O[C@@H]1CO.C[C@H]1[C@@H](F)[C@H](c2cc(C(N)=O)c3c(N)ncnn23)O[C@@H]1CO.

What is the InChIKey of 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid?

The InChIKey is JZQKHESYANDCMJ-FXWVMOGCSA-N. The full InChI is InChI=1S/C15H20N4O4.2C14H17FN4O4.C13H16FN5O3.C13H15FN4O4/c1-7-10(5-20)23-12(15(7,2)3)9-4-8(14(21)22)11-13(16)17-6-18-19(9)11;1-14(2)10(15)8(4-20)23-11(14)7-3-6(13(21)22)9-12(16)17-5-18-19(7)9;1-6-9(4-20)23-11(14(6,2)15)8-3-7(13(21)22)10-12(16)17-5-18-19(8)10;1-5-8(3-20)22-11(9(5)14)7-2-6(13(16)21)10-12(15)17-4-18-19(7)10;1-5-8(3-19)22-11(9(5)14)7-2-6(13(20)21)10-12(15)16-4-17-18(7)10/h4,6-7,10,12,20H,5H2,1-3H3,(H,21,22)(H2,16,17,18);3,5,8,10-11,20H,4H2,1-2H3,(H,21,22)(H2,16,17,18);3,5-6,9,11,20H,4H2,1-2H3,(H,21,22)(H2,16,17,18);2,4-5,8-9,11,20H,3H2,1H3,(H2,16,21)(H2,15,17,18);2,4-5,8-9,11,19H,3H2,1H3,(H,20,21)(H2,15,16,17)/t7-,10-,12+;8-,10-,11+;6-,9-,11+,14-;2*5-,8-,9-,11+/m11111/s1.

What are the key properties of 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid?

4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid has a molecular weight of 1588.56 g/mol, XLogP of 2.95, 15 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid;4-amino-7-[(2R,4S,5S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid is sourced from PubChem (CID 159070978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).