2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

C17H17F2N3O3 — CID 91626960

IUPAC2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1nccnc1OC1CCN(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C17H17F2N3O3/c1-24-16-17(21-6-5-20-16)25-13-4-7-22(10-13)15(23)8-11-2-3-12(18)9-14(11)19/h2-3,5-6,9,13H,4,7-8,10H2,1H3
InChIKeyDFFANTOXIMXTFB-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.99
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 91626960) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID91626960
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1nccnc1OC1CCN(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C17H17F2N3O3/c1-24-16-17(21-6-5-20-16)25-13-4-7-22(10-13)15(23)8-11-2-3-12(18)9-14(11)19/h2-3,5-6,9,13H,4,7-8,10H2,1H3
InChIKeyDFFANTOXIMXTFB-UHFFFAOYSA-N
XLogP1.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 91626960) is 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is COc1nccnc1OC1CCN(C(=O)Cc2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is DFFANTOXIMXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-24-16-17(21-6-5-20-16)25-13-4-7-22(10-13)15(23)8-11-2-3-12(18)9-14(11)19/h2-3,5-6,9,13H,4,7-8,10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 349.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91626960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).