4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one

C17H23N5O2 — CID 124998191

IUPAC4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C17H23N5O2/c23-17(2-1-8-21-9-7-19-14-21)22-10-11-24-13-16(22)4-3-15-12-18-5-6-20-15/h5-7,9,12,14,16H,1-4,8,10-11,13H2/t16-/m0/s1
InChIKeyRFZPLCNVLFMZAG-INIZCTEOSA-N
MW329.40 g/mol
LogP1.31
Rot. Bonds7

About 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one

4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one (PubChem CID 124998191) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
PubChem CID124998191
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C17H23N5O2/c23-17(2-1-8-21-9-7-19-14-21)22-10-11-24-13-16(22)4-3-15-12-18-5-6-20-15/h5-7,9,12,14,16H,1-4,8,10-11,13H2/t16-/m0/s1
InChIKeyRFZPLCNVLFMZAG-INIZCTEOSA-N
XLogP1.31
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
CID 124942838
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044
2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124941983
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124977212
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one (CID 124998191) is 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one is O=C(CCCn1ccnc1)N1CCOC[C@@H]1CCc1cnccn1.
What is the InChIKey of 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one?
The InChIKey is RFZPLCNVLFMZAG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(2-1-8-21-9-7-19-14-21)22-10-11-24-13-16(22)4-3-15-12-18-5-6-20-15/h5-7,9,12,14,16H,1-4,8,10-11,13H2/t16-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one?
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124998191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).