1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

C20H25N3O4 — CID 90637390

IUPAC1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
SMILESCOc1cncc(OC2CCN(C(=O)COc3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C20H25N3O4/c1-14(2)15-4-6-16(7-5-15)26-13-20(24)23-9-8-17(12-23)27-19-11-21-10-18(22-19)25-3/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3
InChIKeyYNJVYAOGHUFEOS-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.67
Rot. Bonds7

About 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 90637390) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID90637390
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
SMILESCOc1cncc(OC2CCN(C(=O)COc3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C20H25N3O4/c1-14(2)15-4-6-16(7-5-15)26-13-20(24)23-9-8-17(12-23)27-19-11-21-10-18(22-19)25-3/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3
InChIKeyYNJVYAOGHUFEOS-UHFFFAOYSA-N
XLogP2.67
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
CID 126850631
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90639590
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone (CID 90637390) is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone is COc1cncc(OC2CCN(C(=O)COc3ccc(C(C)C)cc3)C2)n1.
What is the InChIKey of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is YNJVYAOGHUFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14(2)15-4-6-16(7-5-15)26-13-20(24)23-9-8-17(12-23)27-19-11-21-10-18(22-19)25-3/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3.
What are the key properties of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 371.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 90637390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).