cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C202H214Cl4F14N54O26S4 — CID 159725817

IUPACcyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4Cl)ncnc32)CC1)C(F)(F)F.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1)C(F)(F)F.CC1(OC(=O)N2CCC(n3ccc4c(Nc5ccc(C#N)cc5Cl)ncnc43)CC2)CCC1.Cc1cnc(N2CCC(n3ccc4c(Oc5cccnc5C)ncnc43)CC2)nc1.N#Cc1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1.N#Cc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN6O2.C23H20ClF5N6O2.C23H23ClN6O2.C23H23F6N5O4S.C23H29FN6O4S.C22H22ClN7O2.C22H23N7O.C21H25FN6O4S.C21H24FN5O5S/c1-24(8-2-9-24)33-23(32)30-10-5-17(6-11-30)31-12-7-18-21(27-15-28-22(18)31)29-20-4-3-16(14-26)13-19(20)25;1-22(25,26)20(23(27,28)29)37-21(36)34-7-4-14(5-8-34)35-9-6-15-18(31-12-32-19(15)35)33-17-3-2-13(11-30)10-16(17)24;24-19-12-15(13-25)4-5-20(19)28-21-18-8-11-30(22(18)27-14-26-21)16-6-9-29(10-7-16)23(31)32-17-2-1-3-17;1-22(25,26)20(23(27,28)29)38-21(35)33-8-5-13(6-9-33)34-10-7-15-18(30-12-31-19(15)34)32-17-4-3-14(11-16(17)24)39(2,36)37;1-23(2,3)13-34-22(31)29-9-7-15(8-10-29)30-21-17(12-27-30)20(25-14-26-21)28-19-6-5-16(11-18(19)24)35(4,32)33;23-18-10-14(11-24)4-5-19(18)28-20-17-12-27-30(21(17)26-13-25-20)15-6-8-29(9-7-15)22(31)32-16-2-1-3-16;1-15-12-24-22(25-13-15)28-9-5-17(6-10-28)29-11-7-18-20(29)26-14-27-21(18)30-19-4-3-8-23-16(19)2;1-13(2)32-21(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(3,30)31;1-13(2)31-21(28)26-8-6-14(7-9-26)27-19-16(11-25-27)20(24-12-23-19)32-18-5-4-15(10-17(18)22)33(3,29)30/h3-4,7,12-13,15,17H,2,5-6,8-11H2,1H3,(H,27,28,29);2-3,6,9-10,12,14,20H,4-5,7-8H2,1H3,(H,31,32,33);4-5,8,11-12,14,16-17H,1-3,6-7,9-10H2,(H,26,27,28);3-4,7,10-13,20H,5-6,8-9H2,1-2H3,(H,30,31,32);5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,26,28);4-5,10,12-13,15-16H,1-3,6-9H2,(H,25,26,28);3-4,7-8,11-14,17H,5-6,9-10H2,1-2H3;4-5,10-14H,6-9H2,1-3H3,(H,23,24,26);4-5,10-14H,6-9H2,1-3H3
InChIKeyNAPREPOJFPPDRF-UHFFFAOYSA-N
MW4350.34 g/mol
LogP40.44
Rot. Bonds42

About cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 159725817) has the molecular formula C202H214Cl4F14N54O26S4 and a molecular weight of 4350.34 g/mol. Its IUPAC name is cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
PubChem CID159725817
Molecular FormulaC202H214Cl4F14N54O26S4
Molecular Weight4350.34 g/mol
Exact Mass4345.45
IUPAC Namecyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4Cl)ncnc32)CC1)C(F)(F)F.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1)C(F)(F)F.CC1(OC(=O)N2CCC(n3ccc4c(Nc5ccc(C#N)cc5Cl)ncnc43)CC2)CCC1.Cc1cnc(N2CCC(n3ccc4c(Oc5cccnc5C)ncnc43)CC2)nc1.N#Cc1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1.N#Cc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN6O2.C23H20ClF5N6O2.C23H23ClN6O2.C23H23F6N5O4S.C23H29FN6O4S.C22H22ClN7O2.C22H23N7O.C21H25FN6O4S.C21H24FN5O5S/c1-24(8-2-9-24)33-23(32)30-10-5-17(6-11-30)31-12-7-18-21(27-15-28-22(18)31)29-20-4-3-16(14-26)13-19(20)25;1-22(25,26)20(23(27,28)29)37-21(36)34-7-4-14(5-8-34)35-9-6-15-18(31-12-32-19(15)35)33-17-3-2-13(11-30)10-16(17)24;24-19-12-15(13-25)4-5-20(19)28-21-18-8-11-30(22(18)27-14-26-21)16-6-9-29(10-7-16)23(31)32-17-2-1-3-17;1-22(25,26)20(23(27,28)29)38-21(35)33-8-5-13(6-9-33)34-10-7-15-18(30-12-31-19(15)34)32-17-4-3-14(11-16(17)24)39(2,36)37;1-23(2,3)13-34-22(31)29-9-7-15(8-10-29)30-21-17(12-27-30)20(25-14-26-21)28-19-6-5-16(11-18(19)24)35(4,32)33;23-18-10-14(11-24)4-5-19(18)28-20-17-12-27-30(21(17)26-13-25-20)15-6-8-29(9-7-15)22(31)32-16-2-1-3-16;1-15-12-24-22(25-13-15)28-9-5-17(6-10-28)29-11-7-18-20(29)26-14-27-21(18)30-19-4-3-8-23-16(19)2;1-13(2)32-21(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(3,30)31;1-13(2)31-21(28)26-8-6-14(7-9-26)27-19-16(11-25-27)20(24-12-23-19)32-18-5-4-15(10-17(18)22)33(3,29)30/h3-4,7,12-13,15,17H,2,5-6,8-11H2,1H3,(H,27,28,29);2-3,6,9-10,12,14,20H,4-5,7-8H2,1H3,(H,31,32,33);4-5,8,11-12,14,16-17H,1-3,6-7,9-10H2,(H,26,27,28);3-4,7,10-13,20H,5-6,8-9H2,1-2H3,(H,30,31,32);5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,26,28);4-5,10,12-13,15-16H,1-3,6-9H2,(H,25,26,28);3-4,7-8,11-14,17H,5-6,9-10H2,1-2H3;4-5,10-14H,6-9H2,1-3H3,(H,23,24,26);4-5,10-14H,6-9H2,1-3H3
InChIKeyNAPREPOJFPPDRF-UHFFFAOYSA-N
XLogP40.44
TPSA940.57 Ų
H-Bond Donors7
H-Bond Acceptors72
Rotatable Bonds42
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004350.34
LogP ≤ 540.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1072

Analyze cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 159725817) is cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is CC(C)(C)COC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4Cl)ncnc32)CC1)C(F)(F)F.CC(F)(F)C(OC(=O)N1CCC(n2ccc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1)C(F)(F)F.CC1(OC(=O)N2CCC(n3ccc4c(Nc5ccc(C#N)cc5Cl)ncnc43)CC2)CCC1.Cc1cnc(N2CCC(n3ccc4c(Oc5cccnc5C)ncnc43)CC2)nc1.N#Cc1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1.N#Cc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC3CCC3)CC2)c(Cl)c1.
What is the InChIKey of cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The InChIKey is NAPREPOJFPPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2.C23H20ClF5N6O2.C23H23ClN6O2.C23H23F6N5O4S.C23H29FN6O4S.C22H22ClN7O2.C22H23N7O.C21H25FN6O4S.C21H24FN5O5S/c1-24(8-2-9-24)33-23(32)30-10-5-17(6-11-30)31-12-7-18-21(27-15-28-22(18)31)29-20-4-3-16(14-26)13-19(20)25;1-22(25,26)20(23(27,28)29)37-21(36)34-7-4-14(5-8-34)35-9-6-15-18(31-12-32-19(15)35)33-17-3-2-13(11-30)10-16(17)24;24-19-12-15(13-25)4-5-20(19)28-21-18-8-11-30(22(18)27-14-26-21)16-6-9-29(10-7-16)23(31)32-17-2-1-3-17;1-22(25,26)20(23(27,28)29)38-21(35)33-8-5-13(6-9-33)34-10-7-15-18(30-12-31-19(15)34)32-17-4-3-14(11-16(17)24)39(2,36)37;1-23(2,3)13-34-22(31)29-9-7-15(8-10-29)30-21-17(12-27-30)20(25-14-26-21)28-19-6-5-16(11-18(19)24)35(4,32)33;23-18-10-14(11-24)4-5-19(18)28-20-17-12-27-30(21(17)26-13-25-20)15-6-8-29(9-7-15)22(31)32-16-2-1-3-16;1-15-12-24-22(25-13-15)28-9-5-17(6-10-28)29-11-7-18-20(29)26-14-27-21(18)30-19-4-3-8-23-16(19)2;1-13(2)32-21(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(3,30)31;1-13(2)31-21(28)26-8-6-14(7-9-26)27-19-16(11-25-27)20(24-12-23-19)32-18-5-4-15(10-17(18)22)33(3,29)30/h3-4,7,12-13,15,17H,2,5-6,8-11H2,1H3,(H,27,28,29);2-3,6,9-10,12,14,20H,4-5,7-8H2,1H3,(H,31,32,33);4-5,8,11-12,14,16-17H,1-3,6-7,9-10H2,(H,26,27,28);3-4,7,10-13,20H,5-6,8-9H2,1-2H3,(H,30,31,32);5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,26,28);4-5,10,12-13,15-16H,1-3,6-9H2,(H,25,26,28);3-4,7-8,11-14,17H,5-6,9-10H2,1-2H3;4-5,10-14H,6-9H2,1-3H3,(H,23,24,26);4-5,10-14H,6-9H2,1-3H3.
What are the key properties of cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 4350.34 g/mol, XLogP of 40.44, 42 rotatable bonds, 7 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(1-methylcyclobutyl) 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[(2-methyl-3-pyridinyl)oxy]-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159725817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).