2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone

C16H21N5O2 — CID 124941983

IUPAC2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)Cn1ccnc1
InChIInChI=1S/C16H21N5O2/c1-13-15(19-5-4-18-13)3-2-14-11-23-9-8-21(14)16(22)10-20-7-6-17-12-20/h4-7,12,14H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyARJAWPMBIRBOQX-AWEZNQCLSA-N
MW315.38 g/mol
LogP0.84
Rot. Bonds5

About 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone

2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 124941983) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID124941983
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)Cn1ccnc1
InChIInChI=1S/C16H21N5O2/c1-13-15(19-5-4-18-13)3-2-14-11-23-9-8-21(14)16(22)10-20-7-6-17-12-20/h4-7,12,14H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyARJAWPMBIRBOQX-AWEZNQCLSA-N
XLogP0.84
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.84
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
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 125002656
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 125026964
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 125013815
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
CID 124976639
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
(1-ethyl-3-methylpyrazol-4-yl)-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124957997
(1-ethyl-5-methylpyrazol-3-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132349

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (CID 124941983) is 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is Cc1nccnc1CC[C@H]1COCCN1C(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is ARJAWPMBIRBOQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13-15(19-5-4-18-13)3-2-14-11-23-9-8-21(14)16(22)10-20-7-6-17-12-20/h4-7,12,14H,2-3,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124941983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).