(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol

C76H75ClF4N8O16 — CID 157268279

IUPAC(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
SMILESCc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cc(F)cc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H19ClN2O4.C19H18F2N2O4.2C19H19FN2O4/c1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11;1-9-2-4-22-18-13(9)3-5-23(18)19-16(26)15(25)17(27-19)14(24)10-6-11(20)8-12(21)7-10;1-10-6-8-21-18-13(10)7-9-22(18)19-16(25)15(24)17(26-19)14(23)11-2-4-12(20)5-3-11;1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11/h2-9,14-17,19,23-25H,1H3;2-8,14-17,19,24-26H,1H3;2*2-9,14-17,19,23-25H,1H3/t2*14-,15-,16+,17+,19+;14-,15+,16-,17-,19-;14-,15-,16+,17+,19+/m0010/s1
InChIKeyAYFYVEXCMNCAHY-QEJZURCQSA-N
MW1467.92 g/mol
LogP8.00
Rot. Bonds12

About (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol (PubChem CID 157268279) has the molecular formula C76H75ClF4N8O16 and a molecular weight of 1467.92 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
PubChem CID157268279
Molecular FormulaC76H75ClF4N8O16
Molecular Weight1467.92 g/mol
Exact Mass1466.49
IUPAC Name(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
SMILESCc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cc(F)cc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H19ClN2O4.C19H18F2N2O4.2C19H19FN2O4/c1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11;1-9-2-4-22-18-13(9)3-5-23(18)19-16(26)15(25)17(27-19)14(24)10-6-11(20)8-12(21)7-10;1-10-6-8-21-18-13(10)7-9-22(18)19-16(25)15(24)17(26-19)14(23)11-2-4-12(20)5-3-11;1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11/h2-9,14-17,19,23-25H,1H3;2-8,14-17,19,24-26H,1H3;2*2-9,14-17,19,23-25H,1H3/t2*14-,15-,16+,17+,19+;14-,15+,16-,17-,19-;14-,15-,16+,17+,19+/m0010/s1
InChIKeyAYFYVEXCMNCAHY-QEJZURCQSA-N
XLogP8.00
TPSA350.96 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001467.92
LogP ≤ 58.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5R)-2-[(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139519001
2-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122496862
(2R,3R,4S,5R)-2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122482648
(2R,3S,4R,5R)-2-[(R)-(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 122496932
(2R,3S,4R,5R)-2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139519011
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
(2R,3S,4R,5R)-2-[(R)-hydroxy(1,2,3,4-tetrahydroisoquinolin-8-yl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 122496829
(2R,3R,4S,5R)-2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122482832
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122669398
(2R,3S,4R,5R)-2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139519006
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 164584842
(2R,3S,4R,5R)-2-[(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-[4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 135307604

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol (CID 157268279) is (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol is Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cc(F)cc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O.Cc1ccnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?
The InChIKey is AYFYVEXCMNCAHY-QEJZURCQSA-N. The full InChI is InChI=1S/C19H19ClN2O4.C19H18F2N2O4.2C19H19FN2O4/c1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11;1-9-2-4-22-18-13(9)3-5-23(18)19-16(26)15(25)17(27-19)14(24)10-6-11(20)8-12(21)7-10;1-10-6-8-21-18-13(10)7-9-22(18)19-16(25)15(24)17(26-19)14(23)11-2-4-12(20)5-3-11;1-10-5-7-21-18-13(10)6-8-22(18)19-16(25)15(24)17(26-19)14(23)11-3-2-4-12(20)9-11/h2-9,14-17,19,23-25H,1H3;2-8,14-17,19,24-26H,1H3;2*2-9,14-17,19,23-25H,1H3/t2*14-,15-,16+,17+,19+;14-,15+,16-,17-,19-;14-,15-,16+,17+,19+/m0010/s1.
What are the key properties of (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol has a molecular weight of 1467.92 g/mol, XLogP of 8.00, 12 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 157268279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).