benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride

C208H254Cl2F6N64O25S6 — CID 157165963

About benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride

benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride (PubChem CID 157165963) has the molecular formula C208H254Cl2F6N64O25S6 and a molecular weight of 4428.04 g/mol. Its IUPAC name is benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride.

Molecular Properties

• Compound Name: benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride
• PubChem CID: 157165963
• Molecular Formula: C208H254Cl2F6N64O25S6
• Molecular Weight: 4428.04 g/mol
• Exact Mass: 4423.82
• IUPAC Name: benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4cccnc4C#N)ncnc32)CC1.CCCc1cnc(N2CCC(n3ncc4c(Nc5ccc(SOOC)cc5F)ncnc43)CC2)nc1.CCc1cnc(N2CCC(n3ncc4c(Nc5ccc(SOOC)cc5F)ncnc43)CC2)nc1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(c3ncccn3)CC2)c(F)c1.CS(=O)(=O)c1ccc(Nc2ncnc3c2nnn3C2CCN(c3ncccn3)CC2)c(F)c1.Cc1ncccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OC(C)C)CC1.Cc1ncccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OCc2ccccc2)CC1.Cl.Cl
• InChI: InChI=1S/C25H25FN6O4S.C24H27FN8O2S.C24H24N6O3.C23H25FN8O2S.C21H21FN8O2S.C21H25FN6O4S.C20H20FN9O2S.C20H21N7O3.C20H24N6O3.10CH4.2ClH/c1-34-36-37-19-7-8-22(21(26)13-19)30-23-20-14-29-32(24(20)28-16-27-23)18-9-11-31(12-10-18)25(33)35-15-17-5-3-2-4-6-17;1-3-4-16-12-26-24(27-13-16)32-9-7-17(8-10-32)33-23-19(14-30-33)22(28-15-29-23)31-21-6-5-18(11-20(21)25)36-35-34-2;1-17-21(8-5-11-25-17)33-23-20-14-28-30(22(20)26-16-27-23)19-9-12-29(13-10-19)24(31)32-15-18-6-3-2-4-7-18;1-3-15-11-25-23(26-12-15)31-8-6-16(7-9-31)32-22-18(13-29-32)21(27-14-28-22)30-20-5-4-17(10-19(20)24)35-34-33-2;1-31-32-33-15-3-4-18(17(22)11-15)28-19-16-12-27-30(20(16)26-13-25-19)14-5-9-29(10-6-14)21-23-7-2-8-24-21;1-13(2)31-21(29)27-8-6-14(7-9-27)28-20-16(11-25-28)19(23-12-24-20)26-18-5-4-15(10-17(18)22)33-32-30-3;1-33(31,32)14-3-4-16(15(21)11-14)26-18-17-19(25-12-24-18)30(28-27-17)13-5-9-29(10-6-13)20-22-7-2-8-23-20;1-13(2)29-20(28)26-8-5-14(6-9-26)27-18-15(11-25-27)19(24-12-23-18)30-17-4-3-7-22-16(17)10-21;1-13(2)28-20(27)25-9-6-15(7-10-25)26-18-16(11-24-26)19(23-12-22-18)29-17-5-4-8-21-14(17)3;;;;;;;;;;;;/h2-8,13-14,16,18H,9-12,15H2,1H3,(H,27,28,30);5-6,11-15,17H,3-4,7-10H2,1-2H3,(H,28,29,31);2-8,11,14,16,19H,9-10,12-13,15H2,1H3;4-5,10-14,16H,3,6-9H2,1-2H3,(H,27,28,30);2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,25,26,28);4-5,10-14H,6-9H2,1-3H3,(H,23,24,26);2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,25,26);3-4,7,11-14H,5-6,8-9H2,1-2H3;4-5,8,11-13,15H,6-7,9-10H2,1-3H3;10*1H4;2*1H
• InChIKey: CYHZLGGJHBRITM-UHFFFAOYSA-N
• XLogP: 43.25
• TPSA: 957.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 89
• Rotatable Bonds: 57
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4428.04
LogP ≤ 5	43.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	89

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride?

The IUPAC name of benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride (CID 157165963) is benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride.

What is the SMILES notation for benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride?

The canonical SMILES for benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride is C.C.C.C.C.C.C.C.C.C.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4cccnc4C#N)ncnc32)CC1.CCCc1cnc(N2CCC(n3ncc4c(Nc5ccc(SOOC)cc5F)ncnc43)CC2)nc1.CCc1cnc(N2CCC(n3ncc4c(Nc5ccc(SOOC)cc5F)ncnc43)CC2)nc1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1.COOSc1ccc(Nc2ncnc3c2cnn3C2CCN(c3ncccn3)CC2)c(F)c1.CS(=O)(=O)c1ccc(Nc2ncnc3c2nnn3C2CCN(c3ncccn3)CC2)c(F)c1.Cc1ncccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OC(C)C)CC1.Cc1ncccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OCc2ccccc2)CC1.Cl.Cl.

What is the InChIKey of benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride?

The InChIKey is CYHZLGGJHBRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4S.C24H27FN8O2S.C24H24N6O3.C23H25FN8O2S.C21H21FN8O2S.C21H25FN6O4S.C20H20FN9O2S.C20H21N7O3.C20H24N6O3.10CH4.2ClH/c1-34-36-37-19-7-8-22(21(26)13-19)30-23-20-14-29-32(24(20)28-16-27-23)18-9-11-31(12-10-18)25(33)35-15-17-5-3-2-4-6-17;1-3-4-16-12-26-24(27-13-16)32-9-7-17(8-10-32)33-23-19(14-30-33)22(28-15-29-23)31-21-6-5-18(11-20(21)25)36-35-34-2;1-17-21(8-5-11-25-17)33-23-20-14-28-30(22(20)26-16-27-23)19-9-12-29(13-10-19)24(31)32-15-18-6-3-2-4-7-18;1-3-15-11-25-23(26-12-15)31-8-6-16(7-9-31)32-22-18(13-29-32)21(27-14-28-22)30-20-5-4-17(10-19(20)24)35-34-33-2;1-31-32-33-15-3-4-18(17(22)11-15)28-19-16-12-27-30(20(16)26-13-25-19)14-5-9-29(10-6-14)21-23-7-2-8-24-21;1-13(2)31-21(29)27-8-6-14(7-9-27)28-20-16(11-25-28)19(23-12-24-20)26-18-5-4-15(10-17(18)22)33-32-30-3;1-33(31,32)14-3-4-16(15(21)11-14)26-18-17-19(25-12-24-18)30(28-27-17)13-5-9-29(10-6-13)20-22-7-2-8-23-20;1-13(2)29-20(28)26-8-5-14(6-9-26)27-18-15(11-25-27)19(24-12-23-18)30-17-4-3-7-22-16(17)10-21;1-13(2)28-20(27)25-9-6-15(7-10-25)26-18-16(11-24-26)19(23-12-22-18)29-17-5-4-8-21-14(17)3;;;;;;;;;;;;/h2-8,13-14,16,18H,9-12,15H2,1H3,(H,27,28,30);5-6,11-15,17H,3-4,7-10H2,1-2H3,(H,28,29,31);2-8,11,14,16,19H,9-10,12-13,15H2,1H3;4-5,10-14,16H,3,6-9H2,1-2H3,(H,27,28,30);2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,25,26,28);4-5,10-14H,6-9H2,1-3H3,(H,23,24,26);2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,25,26);3-4,7,11-14H,5-6,8-9H2,1-2H3;4-5,8,11-13,15H,6-7,9-10H2,1-3H3;10*1H4;2*1H.

What are the key properties of benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride?

benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride has a molecular weight of 4428.04 g/mol, XLogP of 43.25, 57 rotatable bonds, 6 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylperoxysulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylperoxysulfanylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-amine;methane;propan-2-yl 4-[4-[(2-cyano-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylperoxysulfanylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 157165963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).