benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C160H175Cl2F3N38O23S — CID 157491671

IUPACbenzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CCCCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.COCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCc2ccccc2)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)Oc2cccc(C(C)(F)F)c2)CC1.Cc1nn(C2CCN(C(=O)OC(C)C)CC2)c2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c12
InChIInChI=1S/C26H25F2N5O3.C25H25N5O3.C23H29N5O3.C22H23ClN6O3.C22H27FN6O4S.C21H21ClN6O3.C21H25N5O4/c1-17-22(7-4-11-29-17)36-24-21-10-14-33(23(21)30-16-31-24)19-8-12-32(13-9-19)25(34)35-20-6-3-5-18(15-20)26(2,27)28;1-18-22(8-5-12-26-18)33-24-21-11-15-30(23(21)27-17-28-24)20-9-13-29(14-10-20)25(31)32-16-19-6-3-2-4-7-19;1-3-4-5-15-30-23(29)27-12-8-18(9-13-27)28-14-10-19-21(28)25-16-26-22(19)31-20-7-6-11-24-17(20)2;1-22(2,3)32-21(30)28-8-6-15(7-9-28)29-19-16(12-27-29)20(26-13-25-19)31-18-5-4-14(11-24)10-17(18)23;1-13(2)33-22(30)28-9-7-15(8-10-28)29-21-19(14(3)27-29)20(24-12-25-21)26-18-6-5-16(11-17(18)23)34(4,31)32;1-13(2)30-21(29)27-7-5-15(6-8-27)28-19-16(11-26-28)20(25-12-24-19)31-18-4-3-14(10-23)9-17(18)22;1-15-18(4-3-8-22-15)30-20-17-7-11-26(19(17)23-14-24-20)16-5-9-25(10-6-16)21(27)29-13-12-28-2/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3;2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3;6-7,10-11,14,16,18H,3-5,8-9,12-13,15H2,1-2H3;4-5,10,12-13,15H,6-9H2,1-3H3;5-6,11-13,15H,7-10H2,1-4H3,(H,24,25,26);3-4,9,11-13,15H,5-8H2,1-2H3;3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3
InChIKeyBXIQYEYFFXLVCU-UHFFFAOYSA-N
MW3158.37 g/mol
LogP31.66
Rot. Bonds35

About benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 157491671) has the molecular formula C160H175Cl2F3N38O23S and a molecular weight of 3158.37 g/mol. Its IUPAC name is benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
PubChem CID157491671
Molecular FormulaC160H175Cl2F3N38O23S
Molecular Weight3158.37 g/mol
Exact Mass3155.27
IUPAC Namebenzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CCCCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.COCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCc2ccccc2)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)Oc2cccc(C(C)(F)F)c2)CC1.Cc1nn(C2CCN(C(=O)OC(C)C)CC2)c2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c12
InChIInChI=1S/C26H25F2N5O3.C25H25N5O3.C23H29N5O3.C22H23ClN6O3.C22H27FN6O4S.C21H21ClN6O3.C21H25N5O4/c1-17-22(7-4-11-29-17)36-24-21-10-14-33(23(21)30-16-31-24)19-8-12-32(13-9-19)25(34)35-20-6-3-5-18(15-20)26(2,27)28;1-18-22(8-5-12-26-18)33-24-21-11-15-30(23(21)27-17-28-24)20-9-13-29(14-10-20)25(31)32-16-19-6-3-2-4-7-19;1-3-4-5-15-30-23(29)27-12-8-18(9-13-27)28-14-10-19-21(28)25-16-26-22(19)31-20-7-6-11-24-17(20)2;1-22(2,3)32-21(30)28-8-6-15(7-9-28)29-19-16(12-27-29)20(26-13-25-19)31-18-5-4-14(11-24)10-17(18)23;1-13(2)33-22(30)28-9-7-15(8-10-28)29-21-19(14(3)27-29)20(24-12-25-21)26-18-6-5-16(11-17(18)23)34(4,31)32;1-13(2)30-21(29)27-7-5-15(6-8-27)28-19-16(11-26-28)20(25-12-24-19)31-18-4-3-14(10-23)9-17(18)22;1-15-18(4-3-8-22-15)30-20-17-7-11-26(19(17)23-14-24-20)16-5-9-25(10-6-16)21(27)29-13-12-28-2/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3;2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3;6-7,10-11,14,16,18H,3-5,8-9,12-13,15H2,1-2H3;4-5,10,12-13,15H,6-9H2,1-3H3;5-6,11-13,15H,7-10H2,1-4H3,(H,24,25,26);3-4,9,11-13,15H,5-8H2,1-2H3;3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3
InChIKeyBXIQYEYFFXLVCU-UHFFFAOYSA-N
XLogP31.66
TPSA670.34 Ų
H-Bond Donors1
H-Bond Acceptors54
Rotatable Bonds35
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003158.37
LogP ≤ 531.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 157491671) is benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C#N)cc4Cl)ncnc32)CC1.CCCCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.COCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCc2ccccc2)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)Oc2cccc(C(C)(F)F)c2)CC1.Cc1nn(C2CCN(C(=O)OC(C)C)CC2)c2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c12.
What is the InChIKey of benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The InChIKey is BXIQYEYFFXLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3.C25H25N5O3.C23H29N5O3.C22H23ClN6O3.C22H27FN6O4S.C21H21ClN6O3.C21H25N5O4/c1-17-22(7-4-11-29-17)36-24-21-10-14-33(23(21)30-16-31-24)19-8-12-32(13-9-19)25(34)35-20-6-3-5-18(15-20)26(2,27)28;1-18-22(8-5-12-26-18)33-24-21-11-15-30(23(21)27-17-28-24)20-9-13-29(14-10-20)25(31)32-16-19-6-3-2-4-7-19;1-3-4-5-15-30-23(29)27-12-8-18(9-13-27)28-14-10-19-21(28)25-16-26-22(19)31-20-7-6-11-24-17(20)2;1-22(2,3)32-21(30)28-8-6-15(7-9-28)29-19-16(12-27-29)20(26-13-25-19)31-18-5-4-14(11-24)10-17(18)23;1-13(2)33-22(30)28-9-7-15(8-10-28)29-21-19(14(3)27-29)20(24-12-25-21)26-18-6-5-16(11-17(18)23)34(4,31)32;1-13(2)30-21(29)27-7-5-15(6-8-27)28-19-16(11-26-28)20(25-12-24-19)31-18-4-3-14(10-23)9-17(18)22;1-15-18(4-3-8-22-15)30-20-17-7-11-26(19(17)23-14-24-20)16-5-9-25(10-6-16)21(27)29-13-12-28-2/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3;2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3;6-7,10-11,14,16,18H,3-5,8-9,12-13,15H2,1-2H3;4-5,10,12-13,15H,6-9H2,1-3H3;5-6,11-13,15H,7-10H2,1-4H3,(H,24,25,26);3-4,9,11-13,15H,5-8H2,1-2H3;3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 3158.37 g/mol, XLogP of 31.66, 35 rotatable bonds, 1 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[3-(1,1-difluoroethyl)phenyl] 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-methoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;pentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-chloro-4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylanilino)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157491671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).