(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C124H134N36O34S2 — CID 160713372

IUPAC(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cc[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccc[nH]1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cn[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CCC=C1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C19H18N4O5.C16H18N4O4.2C15H17N5O4.C15H16N4O5.2C15H16N4O4S.C14H16N6O4/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19;17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(23)12(22)10(6-21)24-16;16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-7(8-2-1-3-17-8)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15;16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15;16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15;15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22);1,3-5,7,10,12-13,16,21-23H,2,6H2,(H2,17,18,19);2*1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19);2*1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18);1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18);1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t13-,15?,16+,19-;10-,12?,13+,16-;4*9-,11?,12+,15-;8-,11?,12+,15-;8-,10?,11+,14-/m11111111/s1
InChIKeyRSDOGCIQKOOJPC-HUXICMMMSA-N
MW2736.79 g/mol
LogP-0.15
Rot. Bonds24

About (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 160713372) has the molecular formula C124H134N36O34S2 and a molecular weight of 2736.79 g/mol. Its IUPAC name is (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID160713372
Molecular FormulaC124H134N36O34S2
Molecular Weight2736.79 g/mol
Exact Mass2734.93
IUPAC Name(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cc[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccc[nH]1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cn[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CCC=C1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C19H18N4O5.C16H18N4O4.2C15H17N5O4.C15H16N4O5.2C15H16N4O4S.C14H16N6O4/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19;17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(23)12(22)10(6-21)24-16;16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-7(8-2-1-3-17-8)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15;16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15;16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15;15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22);1,3-5,7,10,12-13,16,21-23H,2,6H2,(H2,17,18,19);2*1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19);2*1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18);1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18);1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t13-,15?,16+,19-;10-,12?,13+,16-;4*9-,11?,12+,15-;8-,11?,12+,15-;8-,10?,11+,14-/m11111111/s1
InChIKeyRSDOGCIQKOOJPC-HUXICMMMSA-N
XLogP-0.15
TPSA1099.74 Ų
H-Bond Donors35
H-Bond Acceptors69
Rotatable Bonds24
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002736.79
LogP ≤ 5-0.15
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1069

Analyze (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 160713372) is (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cc[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccc[nH]1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1cn[nH]c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CCC=C1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is RSDOGCIQKOOJPC-HUXICMMMSA-N. The full InChI is InChI=1S/C19H18N4O5.C16H18N4O4.2C15H17N5O4.C15H16N4O5.2C15H16N4O4S.C14H16N6O4/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19;17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(23)12(22)10(6-21)24-16;16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-7(8-2-1-3-17-8)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15;16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15;16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15;15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22);1,3-5,7,10,12-13,16,21-23H,2,6H2,(H2,17,18,19);2*1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19);2*1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18);1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18);1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t13-,15?,16+,19-;10-,12?,13+,16-;4*9-,11?,12+,15-;8-,11?,12+,15-;8-,10?,11+,14-/m11111111/s1.
What are the key properties of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 2736.79 g/mol, XLogP of -0.15, 24 rotatable bonds, 35 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 160713372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).