[(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

C96H128Cl5N22O40P5S5 — CID 161328983

About [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

[(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (PubChem CID 161328983) has the molecular formula C96H128Cl5N22O40P5S5 and a molecular weight of 2722.66 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

Molecular Properties

• Compound Name: [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• PubChem CID: 161328983
• Molecular Formula: C96H128Cl5N22O40P5S5
• Molecular Weight: 2722.66 g/mol
• Exact Mass: 2718.44
• IUPAC Name: [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• SMILES: Cc1ccc2c(c1)CCC2Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NC4CCC5CC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NC4CCC5CCCC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCC5CC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCC5CCCC54)cc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C22H26ClN4O8PS.C20H28ClN4O8PS.C19H27ClN5O8PS.C18H24ClN4O8PS.C17H23ClN5O8PS/c1-11-2-4-13-12(6-11)3-5-15(13)25-16-7-18(23)26-21-14(16)8-24-27(21)22-20(29)19(28)17(35-22)9-37(33,34)10-36(30,31)32;21-16-6-14(23-13-5-4-10-2-1-3-11(10)13)12-7-22-25(19(12)24-16)20-18(27)17(26)15(33-20)8-35(31,32)9-34(28,29)30;20-14-6-12(21-11-5-4-9-2-1-3-10(9)11)15-18(22-14)25(24-23-15)19-17(27)16(26)13(33-19)7-35(31,32)8-34(28,29)30;19-14-4-12(21-11-2-1-8-3-9(8)11)10-5-20-23(17(10)22-14)18-16(25)15(24)13(31-18)6-33(29,30)7-32(26,27)28;18-12-4-10(19-9-2-1-7-3-8(7)9)13-16(20-12)23(22-21-13)17-15(25)14(24)11(31-17)5-33(29,30)6-32(26,27)28/h2,4,6-8,15,17,19-20,22,28-29H,3,5,9-10H2,1H3,(H,25,26)(H2,30,31,32);6-7,10-11,13,15,17-18,20,26-27H,1-5,8-9H2,(H,23,24)(H2,28,29,30);6,9-11,13,16-17,19,26-27H,1-5,7-8H2,(H,21,22)(H2,28,29,30);4-5,8-9,11,13,15-16,18,24-25H,1-3,6-7H2,(H,21,22)(H2,26,27,28);4,7-9,11,14-15,17,24-25H,1-3,5-6H2,(H,19,20)(H2,26,27,28)/t15?,17-,19-,20-,22-;10?,11?,13?,15-,17-,18-,20-;9?,10?,11?,13-,16-,17-,19-;8?,9?,11?,13-,15-,16-,18-;7?,8?,9?,11-,14-,15-,17-/m11111/s1
• InChIKey: VLDVMSHBUDAGNW-FXZADNSBSA-N
• XLogP: 3.87
• TPSA: 946.28 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 52
• Rotatable Bonds: 35
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2722.66
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The IUPAC name of [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (CID 161328983) is [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

What is the SMILES notation for [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The canonical SMILES for [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is Cc1ccc2c(c1)CCC2Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NC4CCC5CC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NC4CCC5CCCC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCC5CC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCC5CCCC54)cc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The InChIKey is VLDVMSHBUDAGNW-FXZADNSBSA-N. The full InChI is InChI=1S/C22H26ClN4O8PS.C20H28ClN4O8PS.C19H27ClN5O8PS.C18H24ClN4O8PS.C17H23ClN5O8PS/c1-11-2-4-13-12(6-11)3-5-15(13)25-16-7-18(23)26-21-14(16)8-24-27(21)22-20(29)19(28)17(35-22)9-37(33,34)10-36(30,31)32;21-16-6-14(23-13-5-4-10-2-1-3-11(10)13)12-7-22-25(19(12)24-16)20-18(27)17(26)15(33-20)8-35(31,32)9-34(28,29)30;20-14-6-12(21-11-5-4-9-2-1-3-10(9)11)15-18(22-14)25(24-23-15)19-17(27)16(26)13(33-19)7-35(31,32)8-34(28,29)30;19-14-4-12(21-11-2-1-8-3-9(8)11)10-5-20-23(17(10)22-14)18-16(25)15(24)13(31-18)6-33(29,30)7-32(26,27)28;18-12-4-10(19-9-2-1-7-3-8(7)9)13-16(20-12)23(22-21-13)17-15(25)14(24)11(31-17)5-33(29,30)6-32(26,27)28/h2,4,6-8,15,17,19-20,22,28-29H,3,5,9-10H2,1H3,(H,25,26)(H2,30,31,32);6-7,10-11,13,15,17-18,20,26-27H,1-5,8-9H2,(H,23,24)(H2,28,29,30);6,9-11,13,16-17,19,26-27H,1-5,7-8H2,(H,21,22)(H2,28,29,30);4-5,8-9,11,13,15-16,18,24-25H,1-3,6-7H2,(H,21,22)(H2,26,27,28);4,7-9,11,14-15,17,24-25H,1-3,5-6H2,(H,19,20)(H2,26,27,28)/t15?,17-,19-,20-,22-;10?,11?,13?,15-,17-,18-,20-;9?,10?,11?,13-,16-,17-,19-;8?,9?,11?,13-,15-,16-,18-;7?,8?,9?,11-,14-,15-,17-/m11111/s1.

What are the key properties of [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

[(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid has a molecular weight of 2722.66 g/mol, XLogP of 3.87, 35 rotatable bonds, 25 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R,5R)-5-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(2-bicyclo[3.1.0]hexanylamino)-6-chloropyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(2-bicyclo[3.1.0]hexanylamino)-5-chlorotriazolo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is sourced from PubChem (CID 161328983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).