bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol

C134H134ClF8N19O29 — CID 160817501

About bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol

bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol (PubChem CID 160817501) has the molecular formula C134H134ClF8N19O29 and a molecular weight of 2662.09 g/mol. Its IUPAC name is bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
• PubChem CID: 160817501
• Molecular Formula: C134H134ClF8N19O29
• Molecular Weight: 2662.09 g/mol
• Exact Mass: 2659.92
• IUPAC Name: bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
• SMILES: COc1cc(C(O)C2OC(n3ccc4c(C)ccnc43)C(O)C2O)ccc1F.Cc1cc(C(O)C2OC(n3ccc4c(C)ccnc43)C(O)C2O)ccc1F.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(C#N)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(Cl)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.Cc1nc(N)nc2c1ccn2C1OC(C(O)c2ccc(F)cc2)C(O)C1O.Cc1nc(N)nc2c1ccn2C1OC(C(O)c2ccc(F)cc2)C(O)C1O
• InChI: InChI=1S/C20H18FN3O4.C20H21FN2O5.C20H21FN2O4.C19H18ClFN2O4.C19H18F2N2O4.2C18H19FN4O4/c1-10-4-6-23-19-13(10)5-7-24(19)20-17(27)16(26)18(28-20)15(25)11-2-3-14(21)12(8-11)9-22;1-10-5-7-22-19-12(10)6-8-23(19)20-17(26)16(25)18(28-20)15(24)11-3-4-13(21)14(9-11)27-2;1-10-5-7-22-19-13(10)6-8-23(19)20-17(26)16(25)18(27-20)15(24)12-3-4-14(21)11(2)9-12;1-9-4-6-22-18-11(9)5-7-23(18)19-16(26)15(25)17(27-19)14(24)10-2-3-13(21)12(20)8-10;1-9-4-6-22-18-11(9)5-7-23(18)19-16(26)15(25)17(27-19)14(24)10-2-3-12(20)13(21)8-10;2*1-8-11-6-7-23(16(11)22-18(20)21-8)17-14(26)13(25)15(27-17)12(24)9-2-4-10(19)5-3-9/h2-8,15-18,20,25-27H,1H3;3-9,15-18,20,24-26H,1-2H3;3-9,15-18,20,24-26H,1-2H3;2*2-8,14-17,19,24-26H,1H3;2*2-7,12-15,17,24-26H,1H3,(H2,20,21,22)
• InChIKey: SFCCHRRGAMULFX-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 725.02 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 48
• Rotatable Bonds: 22
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2662.09
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?

The IUPAC name of bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol (CID 160817501) is bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol.

What is the SMILES notation for bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?

The canonical SMILES for bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol is COc1cc(C(O)C2OC(n3ccc4c(C)ccnc43)C(O)C2O)ccc1F.Cc1cc(C(O)C2OC(n3ccc4c(C)ccnc43)C(O)C2O)ccc1F.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(C#N)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(Cl)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.Cc1nc(N)nc2c1ccn2C1OC(C(O)c2ccc(F)cc2)C(O)C1O.Cc1nc(N)nc2c1ccn2C1OC(C(O)c2ccc(F)cc2)C(O)C1O.

What is the InChIKey of bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?

The InChIKey is SFCCHRRGAMULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4.C20H21FN2O5.C20H21FN2O4.C19H18ClFN2O4.C19H18F2N2O4.2C18H19FN4O4/c1-10-4-6-23-19-13(10)5-7-24(19)20-17(27)16(26)18(28-20)15(25)11-2-3-14(21)12(8-11)9-22;1-10-5-7-22-19-12(10)6-8-23(19)20-17(26)16(25)18(28-20)15(24)11-3-4-13(21)14(9-11)27-2;1-10-5-7-22-19-13(10)6-8-23(19)20-17(26)16(25)18(27-20)15(24)12-3-4-14(21)11(2)9-12;1-9-4-6-22-18-11(9)5-7-23(18)19-16(26)15(25)17(27-19)14(24)10-2-3-13(21)12(20)8-10;1-9-4-6-22-18-11(9)5-7-23(18)19-16(26)15(25)17(27-19)14(24)10-2-3-12(20)13(21)8-10;2*1-8-11-6-7-23(16(11)22-18(20)21-8)17-14(26)13(25)15(27-17)12(24)9-2-4-10(19)5-3-9/h2-8,15-18,20,25-27H,1H3;3-9,15-18,20,24-26H,1-2H3;3-9,15-18,20,24-26H,1-2H3;2*2-8,14-17,19,24-26H,1H3;2*2-7,12-15,17,24-26H,1H3,(H2,20,21,22).

What are the key properties of bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?

bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol has a molecular weight of 2662.09 g/mol, XLogP of 11.79, 22 rotatable bonds, 23 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol);2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;5-[[3,4-dihydroxy-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]-hydroxymethyl]-2-fluorobenzonitrile;2-[(4-fluoro-3-methoxyphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 160817501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).