(2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate

C71H61F3N6O14S5 — CID 123171735

About (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate

(2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate (PubChem CID 123171735) has the molecular formula C71H61F3N6O14S5 and a molecular weight of 1439.63 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate
• PubChem CID: 123171735
• Molecular Formula: C71H61F3N6O14S5
• Molecular Weight: 1439.63 g/mol
• Exact Mass: 1438.28
• IUPAC Name: (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate
• SMILES: CSc1ccnc2c(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)scc12.CSc1ccnc2c([C@]3(C#N)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)scc12.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1scc2c(N)ccnc12
• InChI: InChI=1S/C29H23FN2O5S2.C28H24FNO6S2.C14H14FN3O3S/c1-28(30)24(36-27(34)19-11-7-4-8-12-19)21(15-35-26(33)18-9-5-3-6-10-18)37-29(28,17-31)25-23-20(16-39-25)22(38-2)13-14-32-23;1-27(29)23(35-26(32)18-11-7-4-8-12-18)20(15-34-25(31)17-9-5-3-6-10-17)36-28(27,33)24-22-19(16-38-24)21(37-2)13-14-30-22;1-13(15)11(20)9(4-19)21-14(13,6-16)12-10-7(5-22-12)8(17)2-3-18-10/h3-14,16,21,24H,15H2,1-2H3;3-14,16,20,23,33H,15H2,1-2H3;2-3,5,9,11,19-20H,4,17H2,1H3/t21-,24-,28-,29+;20-,23-,27-,28?;9-,11-,13-,14+/m111/s1
• InChIKey: IQBWZZKFDZQNBF-BGCURYPWSA-N
• XLogP: 12.40
• TPSA: 305.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.63
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate?

The IUPAC name of (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate (CID 123171735) is (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate.

What is the SMILES notation for (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate?

The canonical SMILES for (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate is CSc1ccnc2c(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)scc12.CSc1ccnc2c([C@]3(C#N)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)scc12.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1scc2c(N)ccnc12.

What is the InChIKey of (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate?

The InChIKey is IQBWZZKFDZQNBF-BGCURYPWSA-N. The full InChI is InChI=1S/C29H23FN2O5S2.C28H24FNO6S2.C14H14FN3O3S/c1-28(30)24(36-27(34)19-11-7-4-8-12-19)21(15-35-26(33)18-9-5-3-6-10-18)37-29(28,17-31)25-23-20(16-39-25)22(38-2)13-14-32-23;1-27(29)23(35-26(32)18-11-7-4-8-12-18)20(15-34-25(31)17-9-5-3-6-10-17)36-28(27,33)24-22-19(16-38-24)21(37-2)13-14-30-22;1-13(15)11(20)9(4-19)21-14(13,6-16)12-10-7(5-22-12)8(17)2-3-18-10/h3-14,16,21,24H,15H2,1-2H3;3-14,16,20,23,33H,15H2,1-2H3;2-3,5,9,11,19-20H,4,17H2,1H3/t21-,24-,28-,29+;20-,23-,27-,28?;9-,11-,13-,14+/m111/s1.

What are the key properties of (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate?

(2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate has a molecular weight of 1439.63 g/mol, XLogP of 12.40, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-(4-aminothieno[3,4-b]pyridin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile;[(2R,3R,4R,5R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylsulfanylthieno[3,4-b]pyridin-7-yl)oxolan-2-yl]methyl benzoate is sourced from PubChem (CID 123171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).