tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

C201H222Cl4F6N52O22S — CID 159308272

About tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 159308272) has the molecular formula C201H222Cl4F6N52O22S and a molecular weight of 4006.20 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
• PubChem CID: 159308272
• Molecular Formula: C201H222Cl4F6N52O22S
• Molecular Weight: 4006.20 g/mol
• Exact Mass: 4001.62
• IUPAC Name: tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(n2ccc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(Cl)cc4C#N)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Oc4ccc(OC(F)(F)F)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.Cc1cc(C#N)ccc1Nc1ncnc2c1ccn2C1CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC(C)C)CC2)c(C)n1.[C-]#[N+]c1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)N(CC)CC)CC2)c(Cl)c1
• InChI: InChI=1S/C24H28N6O2.C23H26ClN7O.C23H24ClN5O3.2C22H23ClN6O2.C22H22F4N4O4.C22H23FN6O2.C22H28N6O2.C21H25FN6O4S/c1-16-13-17(14-25)5-6-20(16)28-21-19-9-12-30(22(19)27-15-26-21)18-7-10-29(11-8-18)23(31)32-24(2,3)4;1-4-29(5-2)23(32)30-11-8-17(9-12-30)31-13-10-18-21(26-15-27-22(18)31)28-20-7-6-16(25-3)14-19(20)24;1-23(2,3)32-22(30)28-9-6-16(7-10-28)29-11-8-17-20(29)26-14-27-21(17)31-19-5-4-15(13-25)12-18(19)24;1-14(2)31-22(30)28-8-5-17(6-9-28)29-10-7-18-20(25-13-26-21(18)29)27-19-4-3-16(23)11-15(19)12-24;1-14(2)31-22(30)28-8-5-16(6-9-28)29-10-7-17-20(25-13-26-21(17)29)27-19-4-3-15(12-24)11-18(19)23;1-13(2)32-21(31)29-8-5-14(6-9-29)30-10-7-16-19(30)27-12-28-20(16)33-18-4-3-15(11-17(18)23)34-22(24,25)26;1-14(2)31-22(30)28-8-5-16(6-9-28)29-10-7-17-20(25-13-26-21(17)29)27-19-4-3-15(12-24)11-18(19)23;1-14(2)30-22(29)27-10-7-17(8-11-27)28-12-9-18-20(23-13-24-21(18)28)26-19-6-5-15(3)25-16(19)4;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/h5-6,9,12-13,15,18H,7-8,10-11H2,1-4H3,(H,26,27,28);6-7,10,13-15,17H,4-5,8-9,11-12H2,1-2H3,(H,26,27,28);4-5,8,11-12,14,16H,6-7,9-10H2,1-3H3;3-4,7,10-11,13-14,17H,5-6,8-9H2,1-2H3,(H,25,26,27);3-4,7,10-11,13-14,16H,5-6,8-9H2,1-2H3,(H,25,26,27);3-4,7,10-14H,5-6,8-9H2,1-2H3;3-4,7,10-11,13-14,16H,5-6,8-9H2,1-2H3,(H,25,26,27);5-6,9,12-14,17H,7-8,10-11H2,1-4H3,(H,23,24,26);4-5,10-14H,6-9H2,1-3H3,(H,23,24,26)
• InChIKey: LCEVARCTARHSHK-UHFFFAOYSA-N
• XLogP: 42.96
• TPSA: 831.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 63
• Rotatable Bonds: 37
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4006.20
LogP ≤ 5	42.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (CID 159308272) is tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ccc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(C#N)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(Cl)cc4C#N)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ccc3c(Oc4ccc(OC(F)(F)F)cc4F)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.Cc1cc(C#N)ccc1Nc1ncnc2c1ccn2C1CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC(C)C)CC2)c(C)n1.[C-]#[N+]c1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)N(CC)CC)CC2)c(Cl)c1.

What is the InChIKey of tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?

The InChIKey is LCEVARCTARHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2.C23H26ClN7O.C23H24ClN5O3.2C22H23ClN6O2.C22H22F4N4O4.C22H23FN6O2.C22H28N6O2.C21H25FN6O4S/c1-16-13-17(14-25)5-6-20(16)28-21-19-9-12-30(22(19)27-15-26-21)18-7-10-29(11-8-18)23(31)32-24(2,3)4;1-4-29(5-2)23(32)30-11-8-17(9-12-30)31-13-10-18-21(26-15-27-22(18)31)28-20-7-6-16(25-3)14-19(20)24;1-23(2,3)32-22(30)28-9-6-16(7-10-28)29-11-8-17-20(29)26-14-27-21(17)31-19-5-4-15(13-25)12-18(19)24;1-14(2)31-22(30)28-8-5-17(6-9-28)29-10-7-18-20(25-13-26-21(18)29)27-19-4-3-16(23)11-15(19)12-24;1-14(2)31-22(30)28-8-5-16(6-9-28)29-10-7-17-20(25-13-26-21(17)29)27-19-4-3-15(12-24)11-18(19)23;1-13(2)32-21(31)29-8-5-14(6-9-29)30-10-7-16-19(30)27-12-28-20(16)33-18-4-3-15(11-17(18)23)34-22(24,25)26;1-14(2)31-22(30)28-8-5-16(6-9-28)29-10-7-17-20(25-13-26-21(17)29)27-19-4-3-15(12-24)11-18(19)23;1-14(2)30-22(29)27-10-7-17(8-11-27)28-12-9-18-20(23-13-24-21(18)28)26-19-6-5-15(3)25-16(19)4;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/h5-6,9,12-13,15,18H,7-8,10-11H2,1-4H3,(H,26,27,28);6-7,10,13-15,17H,4-5,8-9,11-12H2,1-2H3,(H,26,27,28);4-5,8,11-12,14,16H,6-7,9-10H2,1-3H3;3-4,7,10-11,13-14,17H,5-6,8-9H2,1-2H3,(H,25,26,27);3-4,7,10-11,13-14,16H,5-6,8-9H2,1-2H3,(H,25,26,27);3-4,7,10-14H,5-6,8-9H2,1-2H3;3-4,7,10-11,13-14,16H,5-6,8-9H2,1-2H3,(H,25,26,27);5-6,9,12-14,17H,7-8,10-11H2,1-4H3,(H,23,24,26);4-5,10-14H,6-9H2,1-3H3,(H,23,24,26).

What are the key properties of tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 4006.20 g/mol, XLogP of 42.96, 37 rotatable bonds, 7 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;4-[4-(2-chloro-4-isocyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-diethylpiperidine-1-carboxamide;propan-2-yl 4-[4-(2-chloro-4-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-chloro-2-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(4-cyano-2-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(2,6-dimethyl-3-pyridinyl)amino]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-(trifluoromethoxy)phenoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159308272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).