[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

C134H168ClN31O52P6S6 — CID 167578497

IUPAC[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
SMILESCC(C)C#Cc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CC(C)COc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCCOc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(N[C@@H]4CCc5ccccc54)nc(CO)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C25H30N5O8PS.C24H32N5O9PS.C23H30N5O9PS.C22H28N5O9PS.C21H26N5O9PS.C19H22ClN6O8PS/c1-14(2)7-10-20-28-23(27-18-9-8-15-5-3-4-6-16(15)18)17-11-26-30(24(17)29-20)25-22(32)21(31)19(38-25)12-40(36,37)13-39(33,34)35;1-13(2)10-37-24-27-21(26-17-8-7-14-5-3-4-6-15(14)17)16-9-25-29(22(16)28-24)23-20(31)19(30)18(38-23)11-40(35,36)12-39(32,33)34;1-2-9-36-23-26-20(25-16-8-7-13-5-3-4-6-14(13)16)15-10-24-28(21(15)27-23)22-19(30)18(29)17(37-22)11-39(34,35)12-38(31,32)33;1-35-9-17-25-20(24-15-7-6-12-4-2-3-5-13(12)15)14-8-23-27(21(14)26-17)22-19(29)18(28)16(36-22)10-38(33,34)11-37(30,31)32;27-8-16-24-19(23-14-6-5-11-3-1-2-4-12(11)14)13-7-22-26(20(13)25-16)21-18(29)17(28)15(35-21)9-37(33,34)10-36(30,31)32;20-19-22-16(21-11-6-5-9-3-1-2-4-10(9)11)13-17(23-19)26(25-24-13)18-15(28)14(27)12(34-18)7-36(32,33)8-35(29,30)31/h3-6,11,14,18-19,21-22,25,31-32H,8-9,12-13H2,1-2H3,(H,27,28,29)(H2,33,34,35);3-6,9,13,17-20,23,30-31H,7-8,10-12H2,1-2H3,(H,26,27,28)(H2,32,33,34);3-6,10,16-19,22,29-30H,2,7-9,11-12H2,1H3,(H,25,26,27)(H2,31,32,33);2-5,8,15-16,18-19,22,28-29H,6-7,9-11H2,1H3,(H,24,25,26)(H2,30,31,32);1-4,7,14-15,17-18,21,27-29H,5-6,8-10H2,(H,23,24,25)(H2,30,31,32);1-4,11-12,14-15,18,27-28H,5-8H2,(H,21,22,23)(H2,29,30,31)/t18-,19-,21-,22-,25-;17-,18-,19-,20-,23-;16-,17-,18-,19-,22-;15-,16-,18-,19-,22-;14-,15-,17-,18-,21-;11-,12-,14-,15-,18-/m111111/s1
InChIKeyGVUMSZDSEBKHIA-GYUDGVFKSA-N
MW3458.68 g/mol
LogP3.09
Rot. Bonds51

About [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (PubChem CID 167578497) has the molecular formula C134H168ClN31O52P6S6 and a molecular weight of 3458.68 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
PubChem CID167578497
Molecular FormulaC134H168ClN31O52P6S6
Molecular Weight3458.68 g/mol
Exact Mass3455.79
IUPAC Name[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
SMILESCC(C)C#Cc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CC(C)COc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCCOc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(N[C@@H]4CCc5ccccc54)nc(CO)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C25H30N5O8PS.C24H32N5O9PS.C23H30N5O9PS.C22H28N5O9PS.C21H26N5O9PS.C19H22ClN6O8PS/c1-14(2)7-10-20-28-23(27-18-9-8-15-5-3-4-6-16(15)18)17-11-26-30(24(17)29-20)25-22(32)21(31)19(38-25)12-40(36,37)13-39(33,34)35;1-13(2)10-37-24-27-21(26-17-8-7-14-5-3-4-6-15(14)17)16-9-25-29(22(16)28-24)23-20(31)19(30)18(38-23)11-40(35,36)12-39(32,33)34;1-2-9-36-23-26-20(25-16-8-7-13-5-3-4-6-14(13)16)15-10-24-28(21(15)27-23)22-19(30)18(29)17(37-22)11-39(34,35)12-38(31,32)33;1-35-9-17-25-20(24-15-7-6-12-4-2-3-5-13(12)15)14-8-23-27(21(14)26-17)22-19(29)18(28)16(36-22)10-38(33,34)11-37(30,31)32;27-8-16-24-19(23-14-6-5-11-3-1-2-4-12(11)14)13-7-22-26(20(13)25-16)21-18(29)17(28)15(35-21)9-37(33,34)10-36(30,31)32;20-19-22-16(21-11-6-5-9-3-1-2-4-10(9)11)13-17(23-19)26(25-24-13)18-15(28)14(27)12(34-18)7-36(32,33)8-35(29,30)31/h3-6,11,14,18-19,21-22,25,31-32H,8-9,12-13H2,1-2H3,(H,27,28,29)(H2,33,34,35);3-6,9,13,17-20,23,30-31H,7-8,10-12H2,1-2H3,(H,26,27,28)(H2,32,33,34);3-6,10,16-19,22,29-30H,2,7-9,11-12H2,1H3,(H,25,26,27)(H2,31,32,33);2-5,8,15-16,18-19,22,28-29H,6-7,9-11H2,1H3,(H,24,25,26)(H2,30,31,32);1-4,7,14-15,17-18,21,27-29H,5-6,8-10H2,(H,23,24,25)(H2,30,31,32);1-4,11-12,14-15,18,27-28H,5-8H2,(H,21,22,23)(H2,29,30,31)/t18-,19-,21-,22-,25-;17-,18-,19-,20-,23-;16-,17-,18-,19-,22-;15-,16-,18-,19-,22-;14-,15-,17-,18-,21-;11-,12-,14-,15-,18-/m111111/s1
InChIKeyGVUMSZDSEBKHIA-GYUDGVFKSA-N
XLogP3.09
TPSA1242.75 Ų
H-Bond Donors31
H-Bond Acceptors71
Rotatable Bonds51
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003458.68
LogP ≤ 53.09
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1071

Analyze [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid with MolForge

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Related Compounds

[(2S,3S,4R,5R)-5-[5-chloro-7-(2,3-dihydro-1H-inden-1-ylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
CID 155268102
[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
CID 155254556
[1-[[(2S,3S,4R,5R)-5-[6-chloro-4-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-2-hydroxypropyl]phosphonic acid;1-[[(2S,3S,4R,5R)-5-[6-chloro-4-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propylphosphonic acid
CID 165083343
[[(2R,3S,4R,5S)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146444672
[(2S,3S,4R,5R)-5-[6-cyano-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
CID 135348996
[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
CID 159355757
[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-[(3R)-3-hydroxybut-1-ynyl]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid
CID 148789414
[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
CID 165046882
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methylsulfonylpropan-2-yl]phosphonic acid;[(2R)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid
CID 167638216
[(2R)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonic acid
CID 149444326
[[(1R,2R,3S)-4-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496806
[[(2S,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496795

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?
The IUPAC name of [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (CID 167578497) is [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.
What is the SMILES notation for [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?
The canonical SMILES for [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is CC(C)C#Cc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CC(C)COc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCCOc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(N[C@@H]2CCc3ccccc32)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(N[C@@H]4CCc5ccccc54)nc(CO)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?
The InChIKey is GVUMSZDSEBKHIA-GYUDGVFKSA-N. The full InChI is InChI=1S/C25H30N5O8PS.C24H32N5O9PS.C23H30N5O9PS.C22H28N5O9PS.C21H26N5O9PS.C19H22ClN6O8PS/c1-14(2)7-10-20-28-23(27-18-9-8-15-5-3-4-6-16(15)18)17-11-26-30(24(17)29-20)25-22(32)21(31)19(38-25)12-40(36,37)13-39(33,34)35;1-13(2)10-37-24-27-21(26-17-8-7-14-5-3-4-6-15(14)17)16-9-25-29(22(16)28-24)23-20(31)19(30)18(38-23)11-40(35,36)12-39(32,33)34;1-2-9-36-23-26-20(25-16-8-7-13-5-3-4-6-14(13)16)15-10-24-28(21(15)27-23)22-19(30)18(29)17(37-22)11-39(34,35)12-38(31,32)33;1-35-9-17-25-20(24-15-7-6-12-4-2-3-5-13(12)15)14-8-23-27(21(14)26-17)22-19(29)18(28)16(36-22)10-38(33,34)11-37(30,31)32;27-8-16-24-19(23-14-6-5-11-3-1-2-4-12(11)14)13-7-22-26(20(13)25-16)21-18(29)17(28)15(35-21)9-37(33,34)10-36(30,31)32;20-19-22-16(21-11-6-5-9-3-1-2-4-10(9)11)13-17(23-19)26(25-24-13)18-15(28)14(27)12(34-18)7-36(32,33)8-35(29,30)31/h3-6,11,14,18-19,21-22,25,31-32H,8-9,12-13H2,1-2H3,(H,27,28,29)(H2,33,34,35);3-6,9,13,17-20,23,30-31H,7-8,10-12H2,1-2H3,(H,26,27,28)(H2,32,33,34);3-6,10,16-19,22,29-30H,2,7-9,11-12H2,1H3,(H,25,26,27)(H2,31,32,33);2-5,8,15-16,18-19,22,28-29H,6-7,9-11H2,1H3,(H,24,25,26)(H2,30,31,32);1-4,7,14-15,17-18,21,27-29H,5-6,8-10H2,(H,23,24,25)(H2,30,31,32);1-4,11-12,14-15,18,27-28H,5-8H2,(H,21,22,23)(H2,29,30,31)/t18-,19-,21-,22-,25-;17-,18-,19-,20-,23-;16-,17-,18-,19-,22-;15-,16-,18-,19-,22-;14-,15-,17-,18-,21-;11-,12-,14-,15-,18-/m111111/s1.
What are the key properties of [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?
[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid has a molecular weight of 3458.68 g/mol, XLogP of 3.09, 51 rotatable bonds, 31 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(hydroxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(3-methylbut-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(2-methylpropoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is sourced from PubChem (CID 167578497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).