1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C125H160BBrN24O20 — CID 159634106

About 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159634106) has the molecular formula C125H160BBrN24O20 and a molecular weight of 2409.52 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159634106
• Molecular Formula: C125H160BBrN24O20
• Molecular Weight: 2409.52 g/mol
• Exact Mass: 2407.15
• IUPAC Name: 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)C6CC6)CC5)cnc43)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)C6CC6)CC5)cnc43)cc2)CC1.O=C(C1CC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.O=C(C1CC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(C4CCNCC4)cc3)c2=O)CC1
• InChI: InChI=1S/C31H40N6O5.C31H38N6O5.C26H32N6O3.C21H22BrN5O3.C16H28BNO4/c2*1-30(2,3)42-29(40)35-14-10-22(11-15-35)21-6-8-24(9-7-21)37-26-25(18-33-37)28(39)36(20-32-26)19-31(41)12-16-34(17-13-31)27(38)23-4-5-23;33-24(20-1-2-20)30-13-9-26(35,10-14-30)16-31-17-28-23-22(25(31)34)15-29-32(23)21-5-3-18(4-6-21)19-7-11-27-12-8-19;22-15-3-5-16(6-4-15)27-18-17(11-24-27)20(29)26(13-23-18)12-21(30)7-9-25(10-8-21)19(28)14-1-2-14;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h6-9,18,20,22-23,41H,4-5,10-17,19H2,1-3H3;6-10,18,20,23,41H,4-5,11-17,19H2,1-3H3;3-6,15,17,19-20,27,35H,1-2,7-14,16H2;3-6,11,13-14,30H,1-2,7-10,12H2;8H,9-11H2,1-7H3
• InChIKey: MPNAASBBWUTKHB-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 492.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2409.52
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 159634106) is 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)C6CC6)CC5)cnc43)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)C6CC6)CC5)cnc43)cc2)CC1.O=C(C1CC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.O=C(C1CC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(C4CCNCC4)cc3)c2=O)CC1.

What is the InChIKey of 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is MPNAASBBWUTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O5.C31H38N6O5.C26H32N6O3.C21H22BrN5O3.C16H28BNO4/c2*1-30(2,3)42-29(40)35-14-10-22(11-15-35)21-6-8-24(9-7-21)37-26-25(18-33-37)28(39)36(20-32-26)19-31(41)12-16-34(17-13-31)27(38)23-4-5-23;33-24(20-1-2-20)30-13-9-26(35,10-14-30)16-31-17-28-23-22(25(31)34)15-29-32(23)21-5-3-18(4-6-21)19-7-11-27-12-8-19;22-15-3-5-16(6-4-15)27-18-17(11-24-27)20(29)26(13-23-18)12-21(30)7-9-25(10-8-21)19(28)14-1-2-14;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h6-9,18,20,22-23,41H,4-5,10-17,19H2,1-3H3;6-10,18,20,23,41H,4-5,11-17,19H2,1-3H3;3-6,15,17,19-20,27,35H,1-2,7-14,16H2;3-6,11,13-14,30H,1-2,7-10,12H2;8H,9-11H2,1-7H3.

What are the key properties of 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2409.52 g/mol, XLogP of 13.94, 20 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-piperidin-4-ylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159634106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).