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

C110H146BCl6N29O7 — CID 157210097

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;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

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 (PubChem CID 157210097) has the molecular formula C110H146BCl6N29O7 and a molecular weight of 2210.10 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157210097
• Molecular Formula: C110H146BCl6N29O7
• Molecular Weight: 2210.10 g/mol
• Exact Mass: 2206.02
• IUPAC Name: 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
• SMILES: 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.NNC1CCN(Cc2cccnc2)CC1.O=Cc1c(Cl)nc(Cl)nc1Cl
• InChI: InChI=1S/C31H36N8O.C20H24ClN7O.C17H24BNO2.C16H16Cl2N6.C11H18N4.C6H15N.C5HCl3N2O.2C2H6O/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;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;1-4-7(5-2)6-3;6-3-2(1-11)4(7)10-5(8)9-3;2*1-2-3/h3,5-7,10,17-20,25,33H,2,4,8-9,11-16,21H2,1H3;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;4-6H2,1-3H3;1H;2*3H,2H2,1H3
• InChIKey: ARUGEFJJXIRFEX-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 394.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.10
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

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'}

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;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?

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;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) 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;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.

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;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?

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;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 is 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.NNC1CCN(Cc2cccnc2)CC1.O=Cc1c(Cl)nc(Cl)nc1Cl.

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;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?

The InChIKey is ARUGEFJJXIRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O.C20H24ClN7O.C17H24BNO2.C16H16Cl2N6.C11H18N4.C6H15N.C5HCl3N2O.2C2H6O/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;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;1-4-7(5-2)6-3;6-3-2(1-11)4(7)10-5(8)9-3;2*1-2-3/h3,5-7,10,17-20,25,33H,2,4,8-9,11-16,21H2,1H3;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;4-6H2,1-3H3;1H;2*3H,2H2,1H3.

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;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?

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 has a molecular weight of 2210.10 g/mol, XLogP of 18.43, 24 rotatable bonds, 6 hydrogen bond donors, and 34 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;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 is sourced from PubChem (CID 157210097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).