5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one

C31H37N7O4 — CID 121435795

About 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one

5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121435795) has the molecular formula C31H37N7O4 and a molecular weight of 571.68 g/mol. Its IUPAC name is 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 121435795
• Molecular Formula: C31H37N7O4
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.29
• IUPAC Name: 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(-c5cnn(C6CCOCC6)c5)cc4)c3=O)CC2)CCC1
• InChI: InChI=1S/C31H37N7O4/c1-30(9-2-10-30)29(40)35-13-11-31(41,12-14-35)20-36-21-32-27-26(28(36)39)18-34-38(27)25-5-3-22(4-6-25)23-17-33-37(19-23)24-7-15-42-16-8-24/h3-6,17-19,21,24,41H,2,7-16,20H2,1H3
• InChIKey: QKMZUHNQYCOVMN-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 120.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121435795) is 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one is CC1(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(-c5cnn(C6CCOCC6)c5)cc4)c3=O)CC2)CCC1.

What is the InChIKey of 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is QKMZUHNQYCOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O4/c1-30(9-2-10-30)29(40)35-13-11-31(41,12-14-35)20-36-21-32-27-26(28(36)39)18-34-38(27)25-5-3-22(4-6-25)23-17-33-37(19-23)24-7-15-42-16-8-24/h3-6,17-19,21,24,41H,2,7-16,20H2,1H3.

What are the key properties of 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one?

5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 571.68 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121435795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).