3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one

C23H21F2N3O3 — CID 129360718

IUPAC3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1
InChIInChI=1S/C23H21F2N3O3/c24-17-4-1-3-16(13-17)22-23(27-9-8-26-22)20-15-28(10-12-31-20)21(29)7-11-30-19-6-2-5-18(25)14-19/h1-6,8-9,13-14,20H,7,10-12,15H2/t20-/m0/s1
InChIKeyJNBUHQBFNWQOLR-FQEVSTJZSA-N
MW425.44 g/mol
LogP3.79
Rot. Bonds6

About 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one

3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one (PubChem CID 129360718) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
PubChem CID129360718
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1
InChIInChI=1S/C23H21F2N3O3/c24-17-4-1-3-16(13-17)22-23(27-9-8-26-22)20-15-28(10-12-31-20)21(29)7-11-30-19-6-2-5-18(25)14-19/h1-6,8-9,13-14,20H,7,10-12,15H2/t20-/m0/s1
InChIKeyJNBUHQBFNWQOLR-FQEVSTJZSA-N
XLogP3.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenoxy)-1-[2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
CID 132772202
3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92573009
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
1-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 127250792

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one (CID 129360718) is 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one is O=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one?
The InChIKey is JNBUHQBFNWQOLR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c24-17-4-1-3-16(13-17)22-23(27-9-8-26-22)20-15-28(10-12-31-20)21(29)7-11-30-19-6-2-5-18(25)14-19/h1-6,8-9,13-14,20H,7,10-12,15H2/t20-/m0/s1.
What are the key properties of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one?
3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one has a molecular weight of 425.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).