(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

C76H93Cl2F8N23O24 — CID 162184550

About (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (PubChem CID 162184550) has the molecular formula C76H93Cl2F8N23O24 and a molecular weight of 1935.61 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
• PubChem CID: 162184550
• Molecular Formula: C76H93Cl2F8N23O24
• Molecular Weight: 1935.61 g/mol
• Exact Mass: 1933.60
• IUPAC Name: (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(CCl)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)C(F)(F)[C@@H]1O.Cc1nc2c(ncn2[C@@H]2OC(CO)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@](C)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.Nc1ccnc2c1ncn2[C@@H]1O[C@@](CO)(CF)[C@@H](O)[C@H]1F
• InChI: InChI=1S/C15H21ClFN3O4.C13H14F2N4O4.C12H14ClFN4O4.C12H14F2N4O3.C12H15FN4O5.C12H15FN4O4/c1-8(2)14(22)23-12-11(17)13(24-15(12,6-16)7-21)20-5-4-10(18)19-9(20)3;1-3-12(4-20)10(22)13(14,15)11(23-12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-5-16-9-7(10(21)17-5)15-4-18(9)11-6(14)8(20)12(2-13,3-19)22-11;13-3-12(4-19)9(20)7(14)11(21-12)18-5-17-8-6(15)1-2-16-10(8)18;1-5-15-9-7(10(21)16-5)14-4-17(9)11-6(13)8(20)12(2-18,3-19)22-11;1-5-15-9-7(10(20)16-5)14-4-17(9)11-6(13)8(19)12(2,3-18)21-11/h4-5,8,11-13,21H,3,6-7H2,1-2H3,(H2,18,19);3,5,10-11,20,22H,1,4H2,2H3,(H,17,18,21);4,6,8,11,19-20H,2-3H2,1H3,(H,16,17,21);1-2,5,7,9,11,19-20H,3-4H2,(H2,15,16);4,6,8,11,18-20H,2-3H2,1H3,(H,15,16,21);4,6,8,11,18-19H,3H2,1-2H3,(H,15,16,20)/t11-,12+,13-,15-;10-,11-,12-;6-,8+,11-,12-;7-,9+,11-,12-;6-,8+,11-;6-,8+,11-,12-/m111111/s1
• InChIKey: ZPMHKTOEXWTBRN-FZIYBWIISA-N
• XLogP: -1.90
• TPSA: 677.07 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.61
LogP ≤ 5	-1.90
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The IUPAC name of (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (CID 162184550) is (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.

What is the SMILES notation for (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The canonical SMILES for (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(CCl)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)C(F)(F)[C@@H]1O.Cc1nc2c(ncn2[C@@H]2OC(CO)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@](C)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.Nc1ccnc2c1ncn2[C@@H]1O[C@@](CO)(CF)[C@@H](O)[C@H]1F.

What is the InChIKey of (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The InChIKey is ZPMHKTOEXWTBRN-FZIYBWIISA-N. The full InChI is InChI=1S/C15H21ClFN3O4.C13H14F2N4O4.C12H14ClFN4O4.C12H14F2N4O3.C12H15FN4O5.C12H15FN4O4/c1-8(2)14(22)23-12-11(17)13(24-15(12,6-16)7-21)20-5-4-10(18)19-9(20)3;1-3-12(4-20)10(22)13(14,15)11(23-12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-5-16-9-7(10(21)17-5)15-4-18(9)11-6(14)8(20)12(2-13,3-19)22-11;13-3-12(4-19)9(20)7(14)11(21-12)18-5-17-8-6(15)1-2-16-10(8)18;1-5-15-9-7(10(21)16-5)14-4-17(9)11-6(13)8(20)12(2-18,3-19)22-11;1-5-15-9-7(10(20)16-5)14-4-17(9)11-6(13)8(19)12(2,3-18)21-11/h4-5,8,11-13,21H,3,6-7H2,1-2H3,(H2,18,19);3,5,10-11,20,22H,1,4H2,2H3,(H,17,18,21);4,6,8,11,19-20H,2-3H2,1H3,(H,16,17,21);1-2,5,7,9,11,19-20H,3-4H2,(H2,15,16);4,6,8,11,18-20H,2-3H2,1H3,(H,15,16,21);4,6,8,11,18-19H,3H2,1-2H3,(H,15,16,20)/t11-,12+,13-,15-;10-,11-,12-;6-,8+,11-,12-;7-,9+,11-,12-;6-,8+,11-;6-,8+,11-,12-/m111111/s1.

What are the key properties of (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?

(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one has a molecular weight of 1935.61 g/mol, XLogP of -1.90, 19 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate;9-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,4R,5R)-5-ethenyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is sourced from PubChem (CID 162184550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).