[1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid

C127H198N30O51P6 — CID 159194568

About [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid

[1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid (PubChem CID 159194568) has the molecular formula C127H198N30O51P6 and a molecular weight of 3146.98 g/mol. Its IUPAC name is [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid.

Molecular Properties

• Compound Name: [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid
• PubChem CID: 159194568
• Molecular Formula: C127H198N30O51P6
• Molecular Weight: 3146.98 g/mol
• Exact Mass: 3145.22
• IUPAC Name: [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid
• SMILES: CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(C)(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCCOc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(C)(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
• InChI: InChI=1S/C23H34N5O8P.C22H32N5O8P.2C21H34N5O9P.C20H32N5O9P.C20H32N5O8P/c1-4-5-10-17-26-20(25-14-8-6-7-9-14)15-11-24-28(21(15)27-17)22-19(30)18(29)16(36-22)12-35-23(2,13-34-3)37(31,32)33;1-3-4-9-16-25-20(24-13-7-5-6-8-13)14-10-23-27(21(14)26-16)22-19(29)18(28)15(35-22)11-34-17(12-33-2)36(30,31)32;1-21(11-33-3,36(29,30)31)34-9-14-16(27)17(28)20(35-14)26-19-13(8-22-26)18(23-12-6-4-5-7-12)24-15(25-19)10-32-2;1-3-8-33-21-24-18(23-12-6-4-5-7-12)13-9-22-26(19(13)25-21)20-17(28)16(27)14(35-20)10-34-15(11-32-2)36(29,30)31;1-31-9-14-23-18(22-11-5-3-4-6-11)12-7-21-25(19(12)24-14)20-17(27)16(26)13(34-20)8-33-15(10-32-2)35(28,29)30;1-3-14-23-18(22-11-6-4-5-7-11)12-8-21-25(19(12)24-14)20-17(27)16(26)13(33-20)9-32-15(10-31-2)34(28,29)30/h11,14,16,18-19,22,29-30H,4,6-9,12-13H2,1-3H3,(H,25,26,27)(H2,31,32,33);10,13,15,17-19,22,28-29H,3,5-8,11-12H2,1-2H3,(H,24,25,26)(H2,30,31,32);8,12,14,16-17,20,27-28H,4-7,9-11H2,1-3H3,(H,23,24,25)(H2,29,30,31);9,12,14-17,20,27-28H,3-8,10-11H2,1-2H3,(H,23,24,25)(H2,29,30,31);7,11,13,15-17,20,26-27H,3-6,8-10H2,1-2H3,(H,22,23,24)(H2,28,29,30);8,11,13,15-17,20,26-27H,3-7,9-10H2,1-2H3,(H,22,23,24)(H2,28,29,30)/t16-,18-,19-,22-,23?;15-,17?,18-,19-,22-;14-,16-,17-,20-,21?;14-,15?,16-,17-,20-;2*13-,15?,16-,17-,20-/m111111/s1
• InChIKey: KOMRNEOWUIDIMT-OLODJIGUSA-N
• XLogP: 3.75
• TPSA: 1115.55 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 69
• Rotatable Bonds: 62
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3146.98
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid?

The IUPAC name of [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid (CID 159194568) is [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid.

What is the SMILES notation for [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid?

The canonical SMILES for [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid is CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(C)(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCCOc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(C)(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(COC)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.

What is the InChIKey of [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid?

The InChIKey is KOMRNEOWUIDIMT-OLODJIGUSA-N. The full InChI is InChI=1S/C23H34N5O8P.C22H32N5O8P.2C21H34N5O9P.C20H32N5O9P.C20H32N5O8P/c1-4-5-10-17-26-20(25-14-8-6-7-9-14)15-11-24-28(21(15)27-17)22-19(30)18(29)16(36-22)12-35-23(2,13-34-3)37(31,32)33;1-3-4-9-16-25-20(24-13-7-5-6-8-13)14-10-23-27(21(14)26-16)22-19(29)18(28)15(35-22)11-34-17(12-33-2)36(30,31)32;1-21(11-33-3,36(29,30)31)34-9-14-16(27)17(28)20(35-14)26-19-13(8-22-26)18(23-12-6-4-5-7-12)24-15(25-19)10-32-2;1-3-8-33-21-24-18(23-12-6-4-5-7-12)13-9-22-26(19(13)25-21)20-17(28)16(27)14(35-20)10-34-15(11-32-2)36(29,30)31;1-31-9-14-23-18(22-11-5-3-4-6-11)12-7-21-25(19(12)24-14)20-17(27)16(26)13(34-20)8-33-15(10-32-2)35(28,29)30;1-3-14-23-18(22-11-6-4-5-7-11)12-8-21-25(19(12)24-14)20-17(27)16(26)13(33-20)9-32-15(10-31-2)34(28,29)30/h11,14,16,18-19,22,29-30H,4,6-9,12-13H2,1-3H3,(H,25,26,27)(H2,31,32,33);10,13,15,17-19,22,28-29H,3,5-8,11-12H2,1-2H3,(H,24,25,26)(H2,30,31,32);8,12,14,16-17,20,27-28H,4-7,9-11H2,1-3H3,(H,23,24,25)(H2,29,30,31);9,12,14-17,20,27-28H,3-8,10-11H2,1-2H3,(H,23,24,25)(H2,29,30,31);7,11,13,15-17,20,26-27H,3-6,8-10H2,1-2H3,(H,22,23,24)(H2,28,29,30);8,11,13,15-17,20,26-27H,3-7,9-10H2,1-2H3,(H,22,23,24)(H2,28,29,30)/t16-,18-,19-,22-,23?;15-,17?,18-,19-,22-;14-,16-,17-,20-,21?;14-,15?,16-,17-,20-;2*13-,15?,16-,17-,20-/m111111/s1.

What are the key properties of [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid?

[1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid has a molecular weight of 3146.98 g/mol, XLogP of 3.75, 62 rotatable bonds, 30 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-but-1-ynyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methoxypropan-2-yl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propoxypyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-methoxyethyl]phosphonic acid is sourced from PubChem (CID 159194568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).