2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol

C76H75F6N9O17S — CID 160788396

IUPAC2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol
SMILESCc1ccnc2c1ccn2C1OC(C(O)c2cc(F)cc(C(F)(F)F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(S(C)(=O)=O)cc2)C(O)C1O.Cc1ncnc2c1ccn2C1OC(c2ccccc2)C(O)C1O
InChIInChI=1S/C20H18F4N2O4.C20H22N2O6S.C19H18F2N2O4.C17H17N3O3/c1-9-2-4-25-18-13(9)3-5-26(18)19-16(29)15(28)17(30-19)14(27)10-6-11(20(22,23)24)8-12(21)7-10;1-11-7-9-21-19-14(11)8-10-22(19)20-17(25)16(24)18(28-20)15(23)12-3-5-13(6-4-12)29(2,26)27;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;1-10-12-7-8-20(16(12)19-9-18-10)17-14(22)13(21)15(23-17)11-5-3-2-4-6-11/h2-8,14-17,19,27-29H,1H3;3-10,15-18,20,23-25H,1-2H3;2-8,14-17,19,24-26H,1H3;2-9,13-15,17,21-22H,1H3
InChIKeySBNAPXATMZWAQB-UHFFFAOYSA-N
MW1532.54 g/mol
LogP7.66
Rot. Bonds12

About 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol

2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol (PubChem CID 160788396) has the molecular formula C76H75F6N9O17S and a molecular weight of 1532.54 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol
PubChem CID160788396
Molecular FormulaC76H75F6N9O17S
Molecular Weight1532.54 g/mol
Exact Mass1531.49
IUPAC Name2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol
SMILESCc1ccnc2c1ccn2C1OC(C(O)c2cc(F)cc(C(F)(F)F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(S(C)(=O)=O)cc2)C(O)C1O.Cc1ncnc2c1ccn2C1OC(c2ccccc2)C(O)C1O
InChIInChI=1S/C20H18F4N2O4.C20H22N2O6S.C19H18F2N2O4.C17H17N3O3/c1-9-2-4-25-18-13(9)3-5-26(18)19-16(29)15(28)17(30-19)14(27)10-6-11(20(22,23)24)8-12(21)7-10;1-11-7-9-21-19-14(11)8-10-22(19)20-17(25)16(24)18(28-20)15(23)12-3-5-13(6-4-12)29(2,26)27;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;1-10-12-7-8-20(16(12)19-9-18-10)17-14(22)13(21)15(23-17)11-5-3-2-4-6-11/h2-8,14-17,19,27-29H,1H3;3-10,15-18,20,23-25H,1-2H3;2-8,14-17,19,24-26H,1H3;2-9,13-15,17,21-22H,1H3
InChIKeySBNAPXATMZWAQB-UHFFFAOYSA-N
XLogP7.66
TPSA377.76 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.54
LogP ≤ 57.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol with MolForge

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Related Compounds

2-[Difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[[3-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[[2-(dimethylamino)-4-pyridinyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158745312
(2S,3S,4R,5R)-2-[difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[2-(dimethylamino)-4-pyridinyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158745313
2-[Difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 159487650
(2R,3S,4R,5R)-2-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(3S,4R,5R)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3R,4S,5S)-2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol
CID 159932658
(2S,3S,4R,5R)-2-[difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(3S,4R,5R)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 160483089
(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 160857684
(2R,3S,4R,5R)-2-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]ethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1R)-1-hydroxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-methyl-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-3-methyl-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]oxolane-3,4-diol;(2R,3S,4R,5R)-3-methyl-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)-2-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-3-methyl-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)-2-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]oxolane-3,4-diol
CID 157400732
CID 157651983
CID 157651983
(2R,3S,4R,5R)-2-[1-[3-(difluoromethyl)-5-fluorophenyl]ethenyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1R)-1-[3-(difluoromethyl)-5-fluorophenyl]ethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1S)-1-[2-(difluoromethyl)-4-pyridinyl]-1-hydroxyethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1R)-1-[2-(difluoromethyl)-4-pyridinyl]-1-hydroxyethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1R)-1-[4-(difluoromethyl)-2-pyridinyl]-1-hydroxyethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(1R)-1-[5-(difluoromethyl)-3-pyridinyl]-1-hydroxyethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 158490894
bis((2R,3S,4R,5R)-2-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-ethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol);(2R,3S,4R,5R)-2-[(R)-(3,4-difluorophenyl)-(methylamino)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-(2-methyl-4-pyridinyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-(6-methyl-3-pyridinyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158621823
Bis(2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-ethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol);2-[(3,4-difluorophenyl)-(methylamino)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(6-methyl-3-pyridinyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158621824
Bis(2-[1-(4-chloro-3-fluorophenyl)-1-hydroxyethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol);bis(2-[1-(3,4-difluorophenyl)-1-hydroxyethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol);2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-ethylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)methyl]oxolane-3,4-diol;2-[(4-fluorophenyl)-hydroxymethyl]-5-(4-methylthieno[3,4-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 158917994

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol?
The IUPAC name of 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol (CID 160788396) is 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol.
What is the SMILES notation for 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol?
The canonical SMILES for 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol is Cc1ccnc2c1ccn2C1OC(C(O)c2cc(F)cc(C(F)(F)F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(F)c(F)c2)C(O)C1O.Cc1ccnc2c1ccn2C1OC(C(O)c2ccc(S(C)(=O)=O)cc2)C(O)C1O.Cc1ncnc2c1ccn2C1OC(c2ccccc2)C(O)C1O.
What is the InChIKey of 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol?
The InChIKey is SBNAPXATMZWAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O4.C20H22N2O6S.C19H18F2N2O4.C17H17N3O3/c1-9-2-4-25-18-13(9)3-5-26(18)19-16(29)15(28)17(30-19)14(27)10-6-11(20(22,23)24)8-12(21)7-10;1-11-7-9-21-19-14(11)8-10-22(19)20-17(25)16(24)18(28-20)15(23)12-3-5-13(6-4-12)29(2,26)27;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;1-10-12-7-8-20(16(12)19-9-18-10)17-14(22)13(21)15(23-17)11-5-3-2-4-6-11/h2-8,14-17,19,27-29H,1H3;3-10,15-18,20,23-25H,1-2H3;2-8,14-17,19,24-26H,1H3;2-9,13-15,17,21-22H,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol?
2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol has a molecular weight of 1532.54 g/mol, XLogP of 7.66, 12 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-(4-methylsulfonylphenyl)methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-phenyloxolane-3,4-diol is sourced from PubChem (CID 160788396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).