[(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid

C124H173Cl4N31O54P6 — CID 158179462

About [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid

[(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid (PubChem CID 158179462) has the molecular formula C124H173Cl4N31O54P6 and a molecular weight of 3289.57 g/mol. Its IUPAC name is [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid.

Molecular Properties

• Compound Name: [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid
• PubChem CID: 158179462
• Molecular Formula: C124H173Cl4N31O54P6
• Molecular Weight: 3289.57 g/mol
• Exact Mass: 3285.89
• IUPAC Name: [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid
• SMILES: CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](CO[C@@](C)(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1cc(NCC2CC2)c2cnn([C@@H]3O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1ccc(CNc2nc(Cl)nc3c2cnn3[C@@H]2O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc(CNc2nc(Cl)nc3c2cnn3[C@H]2O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1.O=P(O)(O)C(CO)(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCC45CCC5)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=c1[nH]c(CC(CO)(OC[C@H]2O[C@@H](n3ncc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)P(=O)(O)O)no1
• InChI: InChI=1S/C22H32N5O8P.2C21H27ClN5O9P.C20H27ClN7O10P.C20H29ClN5O9P.C20H31N4O9P/c1-3-4-9-16-25-19(24-13-7-5-6-8-13)14-10-23-27(20(14)26-16)21-18(30)17(29)15(35-21)11-34-22(2,12-28)36(31,32)33;2*1-11-2-4-12(5-3-11)6-23-17-13-7-24-27(18(13)26-20(22)25-17)19-16(31)15(30)14(36-19)8-35-21(9-28,10-29)37(32,33)34;21-18-25-15(23-9-3-1-2-4-9)10-6-22-28(16(10)26-18)17-14(31)13(30)11(37-17)7-36-20(8-29,39(33,34)35)5-12-24-19(32)38-27-12;21-18-24-15(23-12-2-5-19(12)3-1-4-19)10-6-22-26(16(10)25-18)17-14(30)13(29)11(35-17)7-34-20(8-27,9-28)36(31,32)33;1-2-12-5-14(21-6-11-3-4-11)13-7-22-24(18(13)23-12)19-17(28)16(27)15(33-19)8-32-20(9-25,10-26)34(29,30)31/h10,13,15,17-18,21,28-30H,3,5-8,11-12H2,1-2H3,(H,24,25,26)(H2,31,32,33);2*2-5,7,14-16,19,28-31H,6,8-10H2,1H3,(H,23,25,26)(H2,32,33,34);6,9,11,13-14,17,29-31H,1-5,7-8H2,(H,23,25,26)(H,24,27,32)(H2,33,34,35);6,11-14,17,27-30H,1-5,7-9H2,(H,23,24,25)(H2,31,32,33);5,7,11,15-17,19,25-28H,2-4,6,8-10H2,1H3,(H,21,23)(H2,29,30,31)/t15-,17-,18-,21-,22-;14-,15-,16-,19+;14-,15-,16-,19-;11-,13-,14-,17-,20?;11-,12?,13-,14-,17-;15-,16-,17-,19-/m111111/s1
• InChIKey: FYKAOPRNTNQIGM-RYMMISNOSA-N
• XLogP: -1.46
• TPSA: 1280.78 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 72
• Rotatable Bonds: 58
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3289.57
LogP ≤ 5	-1.46
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	72

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 [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid?

The IUPAC name of [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid (CID 158179462) is [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid.

What is the SMILES notation for [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid?

The canonical SMILES for [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid is CCC#Cc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](CO[C@@](C)(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1cc(NCC2CC2)c2cnn([C@@H]3O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1ccc(CNc2nc(Cl)nc3c2cnn3[C@@H]2O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc(CNc2nc(Cl)nc3c2cnn3[C@H]2O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1.O=P(O)(O)C(CO)(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCC45CCC5)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=c1[nH]c(CC(CO)(OC[C@H]2O[C@@H](n3ncc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)P(=O)(O)O)no1.

What is the InChIKey of [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid?

The InChIKey is FYKAOPRNTNQIGM-RYMMISNOSA-N. The full InChI is InChI=1S/C22H32N5O8P.2C21H27ClN5O9P.C20H27ClN7O10P.C20H29ClN5O9P.C20H31N4O9P/c1-3-4-9-16-25-19(24-13-7-5-6-8-13)14-10-23-27(20(14)26-16)21-18(30)17(29)15(35-21)11-34-22(2,12-28)36(31,32)33;2*1-11-2-4-12(5-3-11)6-23-17-13-7-24-27(18(13)26-20(22)25-17)19-16(31)15(30)14(36-19)8-35-21(9-28,10-29)37(32,33)34;21-18-25-15(23-9-3-1-2-4-9)10-6-22-28(16(10)26-18)17-14(31)13(30)11(37-17)7-36-20(8-29,39(33,34)35)5-12-24-19(32)38-27-12;21-18-24-15(23-12-2-5-19(12)3-1-4-19)10-6-22-26(16(10)25-18)17-14(30)13(29)11(35-17)7-34-20(8-27,9-28)36(31,32)33;1-2-12-5-14(21-6-11-3-4-11)13-7-22-24(18(13)23-12)19-17(28)16(27)15(33-19)8-32-20(9-25,10-26)34(29,30)31/h10,13,15,17-18,21,28-30H,3,5-8,11-12H2,1-2H3,(H,24,25,26)(H2,31,32,33);2*2-5,7,14-16,19,28-31H,6,8-10H2,1H3,(H,23,25,26)(H2,32,33,34);6,9,11,13-14,17,29-31H,1-5,7-8H2,(H,23,25,26)(H,24,27,32)(H2,33,34,35);6,11-14,17,27-30H,1-5,7-9H2,(H,23,24,25)(H2,31,32,33);5,7,11,15-17,19,25-28H,2-4,6,8-10H2,1H3,(H,21,23)(H2,29,30,31)/t15-,17-,18-,21-,22-;14-,15-,16-,19+;14-,15-,16-,19-;11-,13-,14-,17-,20?;11-,12?,13-,14-,17-;15-,16-,17-,19-/m111111/s1.

What are the key properties of [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid?

[(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid has a molecular weight of 3289.57 g/mol, XLogP of -1.46, 58 rotatable bonds, 41 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-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-hydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5S)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(4-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(spiro[3.3]heptan-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[4-(cyclopropylmethylamino)-6-ethylpyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid is sourced from PubChem (CID 158179462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).