(5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one

C29H28FN3O3 — CID 159630089

About (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one

(5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 159630089) has the molecular formula C29H28FN3O3 and a molecular weight of 485.56 g/mol. Its IUPAC name is (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

• Compound Name: (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one
• PubChem CID: 159630089
• Molecular Formula: C29H28FN3O3
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.21
• IUPAC Name: (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one
• SMILES: COc1cccc(F)c1CN1C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CCC1=O
• InChI: InChI=1S/C29H28FN3O3/c1-18-12-21(10-11-31-18)29-23-14-20(7-8-22(23)15-32-29)26(34)13-19-6-9-28(35)33(16-19)17-24-25(30)4-3-5-27(24)36-2/h3-5,7-8,10-12,14,19H,6,9,13,15-17H2,1-2H3/t19-/m1/s1
• InChIKey: MOZVINRASCECIE-LJQANCHMSA-N
• XLogP: 4.90
• TPSA: 71.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one?

The IUPAC name of (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one (CID 159630089) is (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one.

What is the SMILES notation for (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one?

The canonical SMILES for (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one is COc1cccc(F)c1CN1C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CCC1=O.

What is the InChIKey of (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one?

The InChIKey is MOZVINRASCECIE-LJQANCHMSA-N. The full InChI is InChI=1S/C29H28FN3O3/c1-18-12-21(10-11-31-18)29-23-14-20(7-8-22(23)15-32-29)26(34)13-19-6-9-28(35)33(16-19)17-24-25(30)4-3-5-27(24)36-2/h3-5,7-8,10-12,14,19H,6,9,13,15-17H2,1-2H3/t19-/m1/s1.

What are the key properties of (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one?

(5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 485.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 159630089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).