4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid

C145H188BCl6F3N36O10 — CID 161233794

IUPAC4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid
SMILESC.CCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.CCCc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CCN(CC)CC.CCO.CCO.Clc1nc(Cl)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.Clc1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.NCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.NNC1CCN(Cc2cccnc2)CC1.O=C(O)C(F)(F)F.O=Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C31H36N8O.C30H35N9O.C20H24ClN7O.C17H24BNO2.C16H16Cl2N6.C11H18N4.C7H3Cl3O.C6H15N.C2HF3O2.2C2H6O.CH4/c1-2-4-24-19-33-28-7-6-23(17-26(24)28)29-35-30(38-13-15-40-16-14-38)27-20-34-39(31(27)36-29)25-8-11-37(12-9-25)21-22-5-3-10-32-18-22;31-8-5-23-18-33-27-4-3-22(16-25(23)27)28-35-29(38-12-14-40-15-13-38)26-19-34-39(30(26)36-28)24-6-10-37(11-7-24)20-21-2-1-9-32-17-21;21-20-24-18(27-8-10-29-11-9-27)17-13-23-28(19(17)25-20)16-3-6-26(7-4-16)14-15-2-1-5-22-12-15;1-6-7-12-11-19-15-9-8-13(10-14(12)15)18-20-16(2,3)17(4,5)21-18;17-14-13-9-20-24(15(13)22-16(18)21-14)12-3-6-23(7-4-12)10-11-2-1-5-19-8-11;12-14-11-3-6-15(7-4-11)9-10-2-1-5-13-8-10;8-4-1-6(9)5(3-11)7(10)2-4;1-4-7(5-2)6-3;3-2(4,5)1(6)7;2*1-2-3;/h3,5-7,10,17-20,25,33H,2,4,8-9,11-16,21H2,1H3;1-4,9,16-19,24,33H,5-8,10-15,20,31H2;1-2,5,12-13,16H,3-4,6-11,14H2;8-11,19H,6-7H2,1-5H3;1-2,5,8-9,12H,3-4,6-7,10H2;1-2,5,8,11,14H,3-4,6-7,9,12H2;1-3H;4-6H2,1-3H3;(H,6,7);2*3H,2H2,1H3;1H4
InChIKeyWWUHBMMRVSCAFL-UHFFFAOYSA-N
MW2875.86 g/mol
LogP24.46
Rot. Bonds31

About 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid

4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 161233794) has the molecular formula C145H188BCl6F3N36O10 and a molecular weight of 2875.86 g/mol. Its IUPAC name is 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid
PubChem CID161233794
Molecular FormulaC145H188BCl6F3N36O10
Molecular Weight2875.86 g/mol
Exact Mass2871.35
IUPAC Name4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid
SMILESC.CCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.CCCc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CCN(CC)CC.CCO.CCO.Clc1nc(Cl)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.Clc1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.NCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.NNC1CCN(Cc2cccnc2)CC1.O=C(O)C(F)(F)F.O=Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C31H36N8O.C30H35N9O.C20H24ClN7O.C17H24BNO2.C16H16Cl2N6.C11H18N4.C7H3Cl3O.C6H15N.C2HF3O2.2C2H6O.CH4/c1-2-4-24-19-33-28-7-6-23(17-26(24)28)29-35-30(38-13-15-40-16-14-38)27-20-34-39(31(27)36-29)25-8-11-37(12-9-25)21-22-5-3-10-32-18-22;31-8-5-23-18-33-27-4-3-22(16-25(23)27)28-35-29(38-12-14-40-15-13-38)26-19-34-39(30(26)36-28)24-6-10-37(11-7-24)20-21-2-1-9-32-17-21;21-20-24-18(27-8-10-29-11-9-27)17-13-23-28(19(17)25-20)16-3-6-26(7-4-16)14-15-2-1-5-22-12-15;1-6-7-12-11-19-15-9-8-13(10-14(12)15)18-20-16(2,3)17(4,5)21-18;17-14-13-9-20-24(15(13)22-16(18)21-14)12-3-6-23(7-4-12)10-11-2-1-5-19-8-11;12-14-11-3-6-15(7-4-11)9-10-2-1-5-13-8-10;8-4-1-6(9)5(3-11)7(10)2-4;1-4-7(5-2)6-3;3-2(4,5)1(6)7;2*1-2-3;/h3,5-7,10,17-20,25,33H,2,4,8-9,11-16,21H2,1H3;1-4,9,16-19,24,33H,5-8,10-15,20,31H2;1-2,5,12-13,16H,3-4,6-11,14H2;8-11,19H,6-7H2,1-5H3;1-2,5,8-9,12H,3-4,6-7,10H2;1-2,5,8,11,14H,3-4,6-7,9,12H2;1-3H;4-6H2,1-3H3;(H,6,7);2*3H,2H2,1H3;1H4
InChIKeyWWUHBMMRVSCAFL-UHFFFAOYSA-N
XLogP24.46
TPSA520.43 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.86
LogP ≤ 524.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichloropyrimidine-5-carbaldehyde;2,2,2-trifluoroacetic acid
CID 158526541
4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichloropyrimidine-5-carbaldehyde;2,2,2-trifluoroacetic acid
CID 167562300
4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichloropyrimidine-5-carbaldehyde
CID 157210097

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid (CID 161233794) is 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid is C.CCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.CCCc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CCN(CC)CC.CCO.CCO.Clc1nc(Cl)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.Clc1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1.NCCc1c[nH]c2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)cc12.NNC1CCN(Cc2cccnc2)CC1.O=C(O)C(F)(F)F.O=Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is WWUHBMMRVSCAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O.C30H35N9O.C20H24ClN7O.C17H24BNO2.C16H16Cl2N6.C11H18N4.C7H3Cl3O.C6H15N.C2HF3O2.2C2H6O.CH4/c1-2-4-24-19-33-28-7-6-23(17-26(24)28)29-35-30(38-13-15-40-16-14-38)27-20-34-39(31(27)36-29)25-8-11-37(12-9-25)21-22-5-3-10-32-18-22;31-8-5-23-18-33-27-4-3-22(16-25(23)27)28-35-29(38-12-14-40-15-13-38)26-19-34-39(30(26)36-28)24-6-10-37(11-7-24)20-21-2-1-9-32-17-21;21-20-24-18(27-8-10-29-11-9-27)17-13-23-28(19(17)25-20)16-3-6-26(7-4-16)14-15-2-1-5-22-12-15;1-6-7-12-11-19-15-9-8-13(10-14(12)15)18-20-16(2,3)17(4,5)21-18;17-14-13-9-20-24(15(13)22-16(18)21-14)12-3-6-23(7-4-12)10-11-2-1-5-19-8-11;12-14-11-3-6-15(7-4-11)9-10-2-1-5-13-8-10;8-4-1-6(9)5(3-11)7(10)2-4;1-4-7(5-2)6-3;3-2(4,5)1(6)7;2*1-2-3;/h3,5-7,10,17-20,25,33H,2,4,8-9,11-16,21H2,1H3;1-4,9,16-19,24,33H,5-8,10-15,20,31H2;1-2,5,12-13,16H,3-4,6-11,14H2;8-11,19H,6-7H2,1-5H3;1-2,5,8-9,12H,3-4,6-7,10H2;1-2,5,8,11,14H,3-4,6-7,9,12H2;1-3H;4-6H2,1-3H3;(H,6,7);2*3H,2H2,1H3;1H4.
What are the key properties of 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid?
4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 2875.86 g/mol, XLogP of 24.46, 31 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4,6-dichloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidine;N,N-diethylethanamine;ethanol;methane;2-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]-1H-indol-3-yl]ethanamine;4-[6-(3-propyl-1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[1-(pyridin-3-ylmethyl)piperidin-4-yl]hydrazine;2,4,6-trichlorobenzaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161233794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).