4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

C89H126B2Cl2N21O13+ — CID 157386154

About 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (PubChem CID 157386154) has the molecular formula C89H126B2Cl2N21O13+ and a molecular weight of 1790.65 g/mol. Its IUPAC name is 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• PubChem CID: 157386154
• Molecular Formula: C89H126B2Cl2N21O13+
• Molecular Weight: 1790.65 g/mol
• Exact Mass: 1788.94
• IUPAC Name: 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• SMILES: C1CCOC1.CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(CCCCO)CC4)c3n2)cc1.CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CC1(C)OB(c2ccc(N=C=O)cc2)OC1(C)C.Clc1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1.OCCCCN1CCC(n2ncc3c(N4CCOCC4)nc(Cl)nc32)CC1.[H+]
• InChI: InChI=1S/C26H35N7O3.C18H27ClN6O2.C14H20BNO3.C14H19ClN6O.C13H16BNO3.C4H8O/c1-19(35)28-21-6-4-20(5-7-21)24-29-25(32-13-16-36-17-14-32)23-18-27-33(26(23)30-24)22-8-11-31(12-9-22)10-2-3-15-34;19-18-21-16(24-8-11-27-12-9-24)15-13-20-25(17(15)22-18)14-3-6-23(7-4-14)5-1-2-10-26;1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15;15-14-18-12(20-5-7-22-8-6-20)11-9-17-21(13(11)19-14)10-1-3-16-4-2-10;1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)15-9-16;1-2-4-5-3-1/h4-7,18,22,34H,2-3,8-17H2,1H3,(H,28,35);13-14,26H,1-12H2;6-9H,1-5H3,(H,16,17);9-10,16H,1-8H2;5-8H,1-4H3;1-4H2/p+1
• InChIKey: BLLLCQDERXGFID-UHFFFAOYSA-O
• XLogP: 10.47
• TPSA: 360.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.65
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?

The IUPAC name of 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (CID 157386154) is 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

What is the SMILES notation for 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?

The canonical SMILES for 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is C1CCOC1.CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(CCCCO)CC4)c3n2)cc1.CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CC1(C)OB(c2ccc(N=C=O)cc2)OC1(C)C.Clc1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1.OCCCCN1CCC(n2ncc3c(N4CCOCC4)nc(Cl)nc32)CC1.[H+].

What is the InChIKey of 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?

The InChIKey is BLLLCQDERXGFID-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H35N7O3.C18H27ClN6O2.C14H20BNO3.C14H19ClN6O.C13H16BNO3.C4H8O/c1-19(35)28-21-6-4-20(5-7-21)24-29-25(32-13-16-36-17-14-32)23-18-27-33(26(23)30-24)22-8-11-31(12-9-22)10-2-3-15-34;19-18-21-16(24-8-11-27-12-9-24)15-13-20-25(17(15)22-18)14-3-6-23(7-4-14)5-1-2-10-26;1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15;15-14-18-12(20-5-7-22-8-6-20)11-9-17-21(13(11)19-14)10-1-3-16-4-2-10;1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)15-9-16;1-2-4-5-3-1/h4-7,18,22,34H,2-3,8-17H2,1H3,(H,28,35);13-14,26H,1-12H2;6-9H,1-5H3,(H,16,17);9-10,16H,1-8H2;5-8H,1-4H3;1-4H2/p+1.

What are the key properties of 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?

4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide has a molecular weight of 1790.65 g/mol, XLogP of 10.47, 20 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 157386154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).