2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

C17H19FN4O2 — CID 110112932

IUPAC2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCNc1nccnc1C1CN(C(=O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H19FN4O2/c1-19-17-16(20-6-7-21-17)14-11-22(8-9-24-14)15(23)10-12-2-4-13(18)5-3-12/h2-7,14H,8-11H2,1H3,(H,19,21)
InChIKeyPGVRCAWKNWJAPV-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone (PubChem CID 110112932) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
PubChem CID110112932
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCNc1nccnc1C1CN(C(=O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H19FN4O2/c1-19-17-16(20-6-7-21-17)14-11-22(8-9-24-14)15(23)10-12-2-4-13(18)5-3-12/h2-7,14H,8-11H2,1H3,(H,19,21)
InChIKeyPGVRCAWKNWJAPV-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
2-(2-methoxyphenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112925
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124959140
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124980166
2-cyclopentyl-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112937
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone (CID 110112932) is 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone is CNc1nccnc1C1CN(C(=O)Cc2ccc(F)cc2)CCO1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone?
The InChIKey is PGVRCAWKNWJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-17-16(20-6-7-21-17)14-11-22(8-9-24-14)15(23)10-12-2-4-13(18)5-3-12/h2-7,14H,8-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 110112932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).