(2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C105H137BCl7N27O8 — CID 159365795

About (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

(2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 159365795) has the molecular formula C105H137BCl7N27O8 and a molecular weight of 2164.41 g/mol. Its IUPAC name is (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 159365795
• Molecular Formula: C105H137BCl7N27O8
• Molecular Weight: 2164.41 g/mol
• Exact Mass: 2159.91
• IUPAC Name: (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: CC(Cl)C(=O)Cl.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCNCC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.Clc1nc(Cl)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1.O=Cc1cccnc1
• InChI: InChI=1S/C23H29ClN6O.C22H28ClN7O.C17H17Cl2N5.C16H23ClN6O.C12H18BNO2.C6H13NO.C6H5NO.C3H4Cl2O/c1-16-13-29(14-17(2)31-16)21-20-12-25-30(22(20)27-23(24)26-21)19-8-10-28(11-9-19)15-18-6-4-3-5-7-18;1-15-12-29(13-16(2)31-15)20-19-11-25-30(21(19)27-22(23)26-20)18-5-8-28(9-6-18)14-17-4-3-7-24-10-17;18-15-14-10-20-24(16(14)22-17(19)21-15)13-6-8-23(9-7-13)11-12-4-2-1-3-5-12;1-10-8-22(9-11(2)24-10)14-13-7-19-23(12-3-5-18-6-4-12)15(13)21-16(17)20-14;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-5-3-7-4-6(2)8-5;8-5-6-2-1-3-7-4-6;1-2(4)3(5)6/h3-7,12,16-17,19H,8-11,13-15H2,1-2H3;3-4,7,10-11,15-16,18H,5-6,8-9,12-14H2,1-2H3;1-5,10,13H,6-9,11H2;7,10-12,18H,3-6,8-9H2,1-2H3;5-8H,14H2,1-4H3;5-7H,3-4H2,1-2H3;1-5H;2H,1H3/t16-,17+;15-,16+;;10-,11+;;5-,6+
• InChIKey: LJCNPSQUBZYMLF-NPUYTYGMSA-N
• XLogP: 17.47
• TPSA: 359.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.41
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 159365795) is (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC(Cl)C(=O)Cl.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1.C[C@@H]1CN(c2nc(Cl)nc3c2cnn3C2CCNCC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.Clc1nc(Cl)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1.O=Cc1cccnc1.

What is the InChIKey of (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is LJCNPSQUBZYMLF-NPUYTYGMSA-N. The full InChI is InChI=1S/C23H29ClN6O.C22H28ClN7O.C17H17Cl2N5.C16H23ClN6O.C12H18BNO2.C6H13NO.C6H5NO.C3H4Cl2O/c1-16-13-29(14-17(2)31-16)21-20-12-25-30(22(20)27-23(24)26-21)19-8-10-28(11-9-19)15-18-6-4-3-5-7-18;1-15-12-29(13-16(2)31-15)20-19-11-25-30(21(19)27-22(23)26-20)18-5-8-28(9-6-18)14-17-4-3-7-24-10-17;18-15-14-10-20-24(16(14)22-17(19)21-15)13-6-8-23(9-7-13)11-12-4-2-1-3-5-12;1-10-8-22(9-11(2)24-10)14-13-7-19-23(12-3-5-18-6-4-12)15(13)21-16(17)20-14;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-5-3-7-4-6(2)8-5;8-5-6-2-1-3-7-4-6;1-2(4)3(5)6/h3-7,12,16-17,19H,8-11,13-15H2,1-2H3;3-4,7,10-11,15-16,18H,5-6,8-9,12-14H2,1-2H3;1-5,10,13H,6-9,11H2;7,10-12,18H,3-6,8-9H2,1-2H3;5-8H,14H2,1-4H3;5-7H,3-4H2,1-2H3;1-5H;2H,1H3/t16-,17+;15-,16+;;10-,11+;;5-,6+;;.

What are the key properties of (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

(2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2164.41 g/mol, XLogP of 17.47, 16 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;1-(1-benzylpiperidin-4-yl)-4,6-dichloropyrazolo[5,4-d]pyrimidine;(2S,6R)-4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine;2-chloropropanoyl chloride;(2S,6R)-4-[6-chloro-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethylmorpholine;pyridine-3-carbaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 159365795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).