4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide

C₃₀H₃₅N₇O₂ — CID 154330418

About 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide

4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide (PubChem CID 154330418) has the molecular formula C₃₀H₃₅N₇O₂ and a molecular weight of 525.66 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 154330418
• Molecular Formula: C₃₀H₃₅N₇O₂
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.29
• IUPAC Name: 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
• InChI: InChI=1S/C30H35N7O2/c1-34(2)30(38)24-10-8-23(9-11-24)27-32-28(36-16-18-39-19-17-36)26-20-31-37(29(26)33-27)25-12-14-35(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3
• InChIKey: ZMOVYUVEXBPMIU-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 79.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide (CID 154330418) is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.

What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide?

The InChIKey is ZMOVYUVEXBPMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-34(2)30(38)24-10-8-23(9-11-24)27-32-28(36-16-18-39-19-17-36)26-20-31-37(29(26)33-27)25-12-14-35(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3.

What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide?

4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 525.66 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 154330418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154330418 — identifiers, structure, computed properties (public domain)

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