1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone

C12H16BrN3O3 — CID 167350868

IUPAC1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Oc2ncc(Br)nc2C)C1
InChIInChI=1S/C12H16BrN3O3/c1-8-12(14-5-10(13)15-8)19-9-3-4-16(6-9)11(17)7-18-2/h5,9H,3-4,6-7H2,1-2H3
InChIKeySRHKMLPLRHEHKT-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.17
Rot. Bonds4

About 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone

1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 167350868) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
PubChem CID167350868
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Oc2ncc(Br)nc2C)C1
InChIInChI=1S/C12H16BrN3O3/c1-8-12(14-5-10(13)15-8)19-9-3-4-16(6-9)11(17)7-18-2/h5,9H,3-4,6-7H2,1-2H3
InChIKeySRHKMLPLRHEHKT-UHFFFAOYSA-N
XLogP1.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91914172
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
trans-ethyl (1S,3S)-3-(5-bromo-3-methylpyrazin-2-yl)oxycyclopentane-1-carboxylate
CID 150563040
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 167351126
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90637390
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone (CID 167350868) is 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(Oc2ncc(Br)nc2C)C1.
What is the InChIKey of 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is SRHKMLPLRHEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-8-12(14-5-10(13)15-8)19-9-3-4-16(6-9)11(17)7-18-2/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone?
1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 330.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 167350868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).