1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C26H28N6O4 — CID 121436223

About 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436223) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 121436223
• Molecular Formula: C26H28N6O4
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1ncc(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(C5CCC5)cc4)c3=O)CC2)o1
• InChI: InChI=1S/C26H28N6O4/c1-17-27-14-22(36-17)25(34)30-11-9-26(35,10-12-30)15-31-16-28-23-21(24(31)33)13-29-32(23)20-7-5-19(6-8-20)18-3-2-4-18/h5-8,13-14,16,18,35H,2-4,9-12,15H2,1H3
• InChIKey: FGXVLWIBIPEQGY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 119.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121436223) is 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ncc(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(C5CCC5)cc4)c3=O)CC2)o1.

What is the InChIKey of 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is FGXVLWIBIPEQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-17-27-14-22(36-17)25(34)30-11-9-26(35,10-12-30)15-31-16-28-23-21(24(31)33)13-29-32(23)20-7-5-19(6-8-20)18-3-2-4-18/h5-8,13-14,16,18,35H,2-4,9-12,15H2,1H3.

What are the key properties of 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 488.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).