5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one

C22H25N5O2 — CID 70833974

About 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one

5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one (PubChem CID 70833974) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
• PubChem CID: 70833974
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccc(=O)[nH]c3)CC2)n1
• InChI: InChI=1S/C22H25N5O2/c1-16-13-17(2)27(24-16)15-22(29)26-11-9-25(10-12-26)20-6-4-3-5-19(20)18-7-8-21(28)23-14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,28)
• InChIKey: ZKNRMLJQFXGQCJ-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one?

The IUPAC name of 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one (CID 70833974) is 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccc(=O)[nH]c3)CC2)n1.

What is the InChIKey of 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one?

The InChIKey is ZKNRMLJQFXGQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-13-17(2)27(24-16)15-22(29)26-11-9-25(10-12-26)20-6-4-3-5-19(20)18-7-8-21(28)23-14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,28).

What are the key properties of 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one?

5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 70833974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).