1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

C24H27FN4O2 — CID 92762526

About 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92762526) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
• PubChem CID: 92762526
• Molecular Formula: C24H27FN4O2
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
• SMILES: CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CCN(c3ccccn3)CC2)c1=O
• InChI: InChI=1S/C24H27FN4O2/c1-3-29-17(2)15-20(30)22(24(29)31)23(18-7-6-8-19(25)16-18)28-13-11-27(12-14-28)21-9-4-5-10-26-21/h4-10,15-16,23,30H,3,11-14H2,1-2H3/t23-/m1/s1
• InChIKey: CDJMOYGVVOKEKJ-HSZRJFAPSA-N
• XLogP: 3.33
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?

The IUPAC name of 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 92762526) is 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.

What is the SMILES notation for 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?

The canonical SMILES for 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CCN(c3ccccn3)CC2)c1=O.

What is the InChIKey of 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?

The InChIKey is CDJMOYGVVOKEKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-29-17(2)15-20(30)22(24(29)31)23(18-7-6-8-19(25)16-18)28-13-11-27(12-14-28)21-9-4-5-10-26-21/h4-10,15-16,23,30H,3,11-14H2,1-2H3/t23-/m1/s1.

What are the key properties of 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?

1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 422.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).