4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C21H22N4O3 — CID 56747717

About 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56747717) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 56747717
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3c[nH]c(=O)cc3O)C2)cc1
• InChI: InChI=1S/C21H22N4O3/c1-13-4-6-14(7-5-13)16-11-23-24-20(16)15-3-2-8-25(12-15)21(28)17-10-22-19(27)9-18(17)26/h4-7,9-11,15H,2-3,8,12H2,1H3,(H,23,24)(H2,22,26,27)
• InChIKey: YROXXADKBZTJCE-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 102.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56747717) is 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3c[nH]c(=O)cc3O)C2)cc1.

What is the InChIKey of 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is YROXXADKBZTJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-4-6-14(7-5-13)16-11-23-24-20(16)15-3-2-8-25(12-15)21(28)17-10-22-19(27)9-18(17)26/h4-7,9-11,15H,2-3,8,12H2,1H3,(H,23,24)(H2,22,26,27).

What are the key properties of 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56747717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).