[(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate

C109H118BrCl7F8N18O28P2S — CID 162257232

About [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate

[(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate (PubChem CID 162257232) has the molecular formula C109H118BrCl7F8N18O28P2S and a molecular weight of 2702.31 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate
• PubChem CID: 162257232
• Molecular Formula: C109H118BrCl7F8N18O28P2S
• Molecular Weight: 2702.31 g/mol
• Exact Mass: 2696.44
• IUPAC Name: [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate
• SMILES: CCOP(C)(=O)COS(=O)(=O)C(F)(F)F.Clc1cc(Cl)c2[nH]cnc2n1.O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)cc(Cl)nc32)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=C(OC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1OC1CCCCO1
• InChI: InChI=1S/C25H18Cl2FN3O5.C21H28ClFN4O4.C19H16BrFO5.C17H23ClFN4O6P.C16H20ClFN4O3.C6H3Cl2N3.C5H10F3O5PS/c26-16-11-18(27)30-22-20(16)29-13-31(22)23-19(28)21(36-25(33)15-9-5-2-6-10-15)17(35-23)12-34-24(32)14-7-3-1-4-8-14;22-15-9-13(25-12-5-1-2-6-12)18-20(26-15)27(11-24-18)21-17(23)19(14(10-28)30-21)31-16-7-3-4-8-29-16;20-17-15(21)16(26-19(23)13-9-5-2-6-10-13)14(25-17)11-24-18(22)12-7-3-1-4-8-12;18-12-5-10(21-9-3-1-2-4-9)14-16(22-12)23(7-20-14)17-13(19)15(24)11(29-17)6-28-8-30(25,26)27;17-11-5-9(20-8-3-1-2-4-8)13-15(21-11)22(7-19-13)16-12(18)14(24)10(6-23)25-16;7-3-1-4(8)11-6-5(3)9-2-10-6;1-3-12-14(2,9)4-13-15(10,11)5(6,7)8/h1-11,13,17,19,21,23H,12H2;9,11-12,14,16-17,19,21,28H,1-8,10H2,(H,25,26);1-10,14-17H,11H2;5,7,9,11,13,15,17,24H,1-4,6,8H2,(H,21,22)(H2,25,26,27);5,7-8,10,12,14,16,23-24H,1-4,6H2,(H,20,21);1-2H,(H,9,10,11);3-4H2,1-2H3/t17-,19+,21-,23-;14-,16?,17+,19-,21-;14-,15+,16-,17+;11-,13+,15-,17-;10-,12+,14-,16-;;/m11111../s1
• InChIKey: ZYTIAVHRHZZPCG-JEQBOYLPSA-N
• XLogP: 20.40
• TPSA: 587.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2702.31
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate?

The IUPAC name of [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate (CID 162257232) is [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate.

What is the SMILES notation for [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate?

The canonical SMILES for [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate is CCOP(C)(=O)COS(=O)(=O)C(F)(F)F.Clc1cc(Cl)c2[nH]cnc2n1.O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)cc(Cl)nc32)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=C(OC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1OC1CCCCO1.

What is the InChIKey of [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate?

The InChIKey is ZYTIAVHRHZZPCG-JEQBOYLPSA-N. The full InChI is InChI=1S/C25H18Cl2FN3O5.C21H28ClFN4O4.C19H16BrFO5.C17H23ClFN4O6P.C16H20ClFN4O3.C6H3Cl2N3.C5H10F3O5PS/c26-16-11-18(27)30-22-20(16)29-13-31(22)23-19(28)21(36-25(33)15-9-5-2-6-10-15)17(35-23)12-34-24(32)14-7-3-1-4-8-14;22-15-9-13(25-12-5-1-2-6-12)18-20(26-15)27(11-24-18)21-17(23)19(14(10-28)30-21)31-16-7-3-4-8-29-16;20-17-15(21)16(26-19(23)13-9-5-2-6-10-13)14(25-17)11-24-18(22)12-7-3-1-4-8-12;18-12-5-10(21-9-3-1-2-4-9)14-16(22-12)23(7-20-14)17-13(19)15(24)11(29-17)6-28-8-30(25,26)27;17-11-5-9(20-8-3-1-2-4-8)13-15(21-11)22(7-19-13)16-12(18)14(24)10(6-23)25-16;7-3-1-4(8)11-6-5(3)9-2-10-6;1-3-12-14(2,9)4-13-15(10,11)5(6,7)8/h1-11,13,17,19,21,23H,12H2;9,11-12,14,16-17,19,21,28H,1-8,10H2,(H,25,26);1-10,14-17H,11H2;5,7,9,11,13,15,17,24H,1-4,6,8H2,(H,21,22)(H2,25,26,27);5,7-8,10,12,14,16,23-24H,1-4,6H2,(H,20,21);1-2H,(H,9,10,11);3-4H2,1-2H3/t17-,19+,21-,23-;14-,16?,17+,19-,21-;14-,15+,16-,17+;11-,13+,15-,17-;10-,12+,14-,16-;;/m11111../s1.

What are the key properties of [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate?

[(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate has a molecular weight of 2702.31 g/mol, XLogP of 20.40, 33 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3-benzoyloxy-5-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methanol;5,7-dichloro-1H-imidazo[4,5-b]pyridine;[ethoxy(methyl)phosphoryl]methyl trifluoromethanesulfonate is sourced from PubChem (CID 162257232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).