1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C27H30FN7O5 — CID 121436724

About 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436724) has the molecular formula C27H30FN7O5 and a molecular weight of 551.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 121436724
• Molecular Formula: C27H30FN7O5
• Molecular Weight: 551.58 g/mol
• Exact Mass: 551.23
• IUPAC Name: 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1cc(OC2CCN(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)CC2)no1
• InChI: InChI=1S/C27H30FN7O5/c1-18-14-23(31-40-18)39-21-6-10-32(11-7-21)26(37)33-12-8-27(38,9-13-33)16-34-17-29-24-22(25(34)36)15-30-35(24)20-4-2-19(28)3-5-20/h2-5,14-15,17,21,38H,6-13,16H2,1H3
• InChIKey: QJYALXSDHQVUJV-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 131.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.58
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121436724) is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(OC2CCN(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)CC2)no1.

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

The InChIKey is QJYALXSDHQVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O5/c1-18-14-23(31-40-18)39-21-6-10-32(11-7-21)26(37)33-12-8-27(38,9-13-33)16-34-17-29-24-22(25(34)36)15-30-35(24)20-4-2-19(28)3-5-20/h2-5,14-15,17,21,38H,6-13,16H2,1H3.

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

1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 551.58 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).