1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione

C20H23FN4O3 — CID 91914162

IUPAC1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
SMILESCN(C)c1nccnc1OC1CCN(C(=O)CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN4O3/c1-24(2)19-20(23-11-10-22-19)28-16-9-12-25(13-16)18(27)8-7-17(26)14-3-5-15(21)6-4-14/h3-6,10-11,16H,7-9,12-13H2,1-2H3
InChIKeyATWYEWFMXOGQDL-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.32
Rot. Bonds7

About 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione

1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione (PubChem CID 91914162) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
PubChem CID91914162
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
SMILESCN(C)c1nccnc1OC1CCN(C(=O)CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN4O3/c1-24(2)19-20(23-11-10-22-19)28-16-9-12-25(13-16)18(27)8-7-17(26)14-3-5-15(21)6-4-14/h3-6,10-11,16H,7-9,12-13H2,1-2H3
InChIKeyATWYEWFMXOGQDL-UHFFFAOYSA-N
XLogP2.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione?
The IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione (CID 91914162) is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione.
What is the SMILES notation for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione?
The canonical SMILES for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione is CN(C)c1nccnc1OC1CCN(C(=O)CCC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione?
The InChIKey is ATWYEWFMXOGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-24(2)19-20(23-11-10-22-19)28-16-9-12-25(13-16)18(27)8-7-17(26)14-3-5-15(21)6-4-14/h3-6,10-11,16H,7-9,12-13H2,1-2H3.
What are the key properties of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione?
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione has a molecular weight of 386.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione is sourced from PubChem (CID 91914162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).