1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C25H25FN2O2 — CID 95818210

About 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 95818210) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
• PubChem CID: 95818210
• Molecular Formula: C25H25FN2O2
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.19
• IUPAC Name: 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
• SMILES: COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1
• InChI: InChI=1S/C25H25FN2O2/c1-30-22-12-10-18(11-13-22)17-25(29)28-14-4-9-24(28)23-8-3-7-21(27-23)16-19-5-2-6-20(26)15-19/h2-3,5-8,10-13,15,24H,4,9,14,16-17H2,1H3/t24-/m1/s1
• InChIKey: MMWUHNDHJKJUCS-XMMPIXPASA-N
• XLogP: 4.73
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?

The IUPAC name of 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 95818210) is 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?

The canonical SMILES for 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1.

What is the InChIKey of 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?

The InChIKey is MMWUHNDHJKJUCS-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-30-22-12-10-18(11-13-22)17-25(29)28-14-4-9-24(28)23-8-3-7-21(27-23)16-19-5-2-6-20(26)15-19/h2-3,5-8,10-13,15,24H,4,9,14,16-17H2,1H3/t24-/m1/s1.

What are the key properties of 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?

1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 95818210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).