2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C20H24N6O — CID 97121194

About 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97121194) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97121194
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1ccnn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C20H24N6O/c1-16-4-9-23-26(16)15-19(27)24-11-2-3-18(14-24)20-22-10-12-25(20)13-17-5-7-21-8-6-17/h4-10,12,18H,2-3,11,13-15H2,1H3/t18-/m0/s1
• InChIKey: JSOIWMXYOHGDEJ-SFHVURJKSA-N
• XLogP: 2.24
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97121194) is 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1ccnn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1.

What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is JSOIWMXYOHGDEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-4-9-23-26(16)15-19(27)24-11-2-3-18(14-24)20-22-10-12-25(20)13-17-5-7-21-8-6-17/h4-10,12,18H,2-3,11,13-15H2,1H3/t18-/m0/s1.

What are the key properties of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97121194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).