1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone

C22H20FN3O3 — CID 110270195

IUPAC1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O3/c23-16-5-9-18(10-6-16)29-21-14-24-13-19(25-21)20-2-1-11-26(20)22(28)12-15-3-7-17(27)8-4-15/h3-10,13-14,20,27H,1-2,11-12H2
InChIKeyVYBFSOYRWTYZDZ-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.02
Rot. Bonds5

About 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone

1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone (PubChem CID 110270195) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
PubChem CID110270195
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O3/c23-16-5-9-18(10-6-16)29-21-14-24-13-19(25-21)20-2-1-11-26(20)22(28)12-15-3-7-17(27)8-4-15/h3-10,13-14,20,27H,1-2,11-12H2
InChIKeyVYBFSOYRWTYZDZ-UHFFFAOYSA-N
XLogP4.02
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110270237
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124943238
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92617016
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95838299
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone (CID 110270195) is 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone is O=C(Cc1ccc(O)cc1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The InChIKey is VYBFSOYRWTYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-16-5-9-18(10-6-16)29-21-14-24-13-19(25-21)20-2-1-11-26(20)22(28)12-15-3-7-17(27)8-4-15/h3-10,13-14,20,27H,1-2,11-12H2.
What are the key properties of 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone has a molecular weight of 393.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 110270195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).