2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

C108H100Cl2F13IN20O23 — CID 157256672

About 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 157256672) has the molecular formula C108H100Cl2F13IN20O23 and a molecular weight of 2490.89 g/mol. Its IUPAC name is 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
• PubChem CID: 157256672
• Molecular Formula: C108H100Cl2F13IN20O23
• Molecular Weight: 2490.89 g/mol
• Exact Mass: 2488.55
• IUPAC Name: 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
• SMILES: Cc1nc(C)c2ccn(C3OC(C(O)c4ccc(Cl)c(F)c4)C(O)C3O)c2n1.Cc1nc(N)nc2c1c(F)cn2C1OC(C(O)c2ccc(Cl)c(F)c2)C(O)C1O.Cc1ncc2c(F)cn(C3OC(C(O)c4ccc(F)c(F)c4)C(O)C3O)c2n1.Cc1ncnc2c1c(I)cn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.NC(c1ccc(F)c(F)c1)C1OC(n2ccc3cccnc32)C(O)C1O.Nc1ncc2c(F)cn(C3OC(C(O)c4ccc(F)c(F)c4)C(O)C3O)c2n1
• InChI: InChI=1S/C19H19ClFN3O4.C18H17ClF2N4O4.C18H16F3N3O4.C18H16F2IN3O4.C18H17F2N3O3.C17H15F3N4O4/c1-8-11-5-6-24(18(11)23-9(2)22-8)19-16(27)15(26)17(28-19)14(25)10-3-4-12(20)13(21)7-10;1-6-11-10(21)5-25(16(11)24-18(22)23-6)17-14(28)13(27)15(29-17)12(26)7-2-3-8(19)9(20)4-7;1-7-22-5-9-12(21)6-24(17(9)23-7)18-15(27)14(26)16(28-18)13(25)8-2-3-10(19)11(20)4-8;1-7-12-11(21)5-24(17(12)23-6-22-7)18-15(27)14(26)16(28-18)13(25)8-2-3-9(19)10(20)4-8;19-11-4-3-10(8-12(11)20)13(21)16-14(24)15(25)18(26-16)23-7-5-9-2-1-6-22-17(9)23;18-8-2-1-6(3-9(8)19)11(25)14-12(26)13(27)16(28-14)24-5-10(20)7-4-22-17(21)23-15(7)24/h3-7,14-17,19,25-27H,1-2H3;2-5,12-15,17,26-28H,1H3,(H2,22,23,24);2*2-6,13-16,18,25-27H,1H3;1-8,13-16,18,24-25H,21H2;1-5,11-14,16,25-27H,(H2,21,22,23)
• InChIKey: AWYYDNRXQYLYLO-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 648.72 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 43
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.89
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?

The IUPAC name of 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 157256672) is 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

What is the SMILES notation for 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?

The canonical SMILES for 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is Cc1nc(C)c2ccn(C3OC(C(O)c4ccc(Cl)c(F)c4)C(O)C3O)c2n1.Cc1nc(N)nc2c1c(F)cn2C1OC(C(O)c2ccc(Cl)c(F)c2)C(O)C1O.Cc1ncc2c(F)cn(C3OC(C(O)c4ccc(F)c(F)c4)C(O)C3O)c2n1.Cc1ncnc2c1c(I)cn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.NC(c1ccc(F)c(F)c1)C1OC(n2ccc3cccnc32)C(O)C1O.Nc1ncc2c(F)cn(C3OC(C(O)c4ccc(F)c(F)c4)C(O)C3O)c2n1.

What is the InChIKey of 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?

The InChIKey is AWYYDNRXQYLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O4.C18H17ClF2N4O4.C18H16F3N3O4.C18H16F2IN3O4.C18H17F2N3O3.C17H15F3N4O4/c1-8-11-5-6-24(18(11)23-9(2)22-8)19-16(27)15(26)17(28-19)14(25)10-3-4-12(20)13(21)7-10;1-6-11-10(21)5-25(16(11)24-18(22)23-6)17-14(28)13(27)15(29-17)12(26)7-2-3-8(19)9(20)4-7;1-7-22-5-9-12(21)6-24(17(9)23-7)18-15(27)14(26)16(28-18)13(25)8-2-3-10(19)11(20)4-8;1-7-12-11(21)5-24(17(12)23-6-22-7)18-15(27)14(26)16(28-18)13(25)8-2-3-9(19)10(20)4-8;19-11-4-3-10(8-12(11)20)13(21)16-14(24)15(25)18(26-16)23-7-5-9-2-1-6-22-17(9)23;18-8-2-1-6(3-9(8)19)11(25)14-12(26)13(27)16(28-14)24-5-10(20)7-4-22-17(21)23-15(7)24/h3-7,14-17,19,25-27H,1-2H3;2-5,12-15,17,26-28H,1H3,(H2,22,23,24);2*2-6,13-16,18,25-27H,1H3;1-8,13-16,18,24-25H,21H2;1-5,11-14,16,25-27H,(H2,21,22,23).

What are the key properties of 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?

2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 2490.89 g/mol, XLogP of 9.70, 18 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[amino-(3,4-difluorophenyl)methyl]-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol;2-(2-amino-5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-(2-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol;2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 157256672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).