(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C17H19N3O4 — CID 90636093

IUPAC(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)c(OC)c1
InChIInChI=1S/C17H19N3O4/c1-22-12-3-4-14(15(9-12)23-2)17(21)20-8-5-13(11-20)24-16-10-18-6-7-19-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3
InChIKeyHLWVZLXBMVALFD-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.79
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636093) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636093
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)c(OC)c1
InChIInChI=1S/C17H19N3O4/c1-22-12-3-4-14(15(9-12)23-2)17(21)20-8-5-13(11-20)24-16-10-18-6-7-19-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3
InChIKeyHLWVZLXBMVALFD-UHFFFAOYSA-N
XLogP1.79
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(2,4-dimethoxyphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251313
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636093) is (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is HLWVZLXBMVALFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-22-12-3-4-14(15(9-12)23-2)17(21)20-8-5-13(11-20)24-16-10-18-6-7-19-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).