5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one

C23H28FN3O3 — CID 126463930

About 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one

5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one (PubChem CID 126463930) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one
• PubChem CID: 126463930
• Molecular Formula: C23H28FN3O3
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.21
• IUPAC Name: 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one
• SMILES: COc1ccc(CC2(CCC(=O)N3CCn4cccc4C3C)CCC(=O)N2)c(F)c1
• InChI: InChI=1S/C23H28FN3O3/c1-16-20-4-3-11-26(20)12-13-27(16)22(29)8-10-23(9-7-21(28)25-23)15-17-5-6-18(30-2)14-19(17)24/h3-6,11,14,16H,7-10,12-13,15H2,1-2H3,(H,25,28)
• InChIKey: SUCNOBHCUVLWGN-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one?

The IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one (CID 126463930) is 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one?

The canonical SMILES for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one is COc1ccc(CC2(CCC(=O)N3CCn4cccc4C3C)CCC(=O)N2)c(F)c1.

What is the InChIKey of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one?

The InChIKey is SUCNOBHCUVLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-20-4-3-11-26(20)12-13-27(16)22(29)8-10-23(9-7-21(28)25-23)15-17-5-6-18(30-2)14-19(17)24/h3-6,11,14,16H,7-10,12-13,15H2,1-2H3,(H,25,28).

What are the key properties of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one?

5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 413.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 126463930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).