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

C18H25N5O2 — CID 124942838

IUPAC4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1ccnc1
InChIInChI=1S/C18H25N5O2/c1-15-17(21-7-6-20-15)5-4-16-13-25-12-11-23(16)18(24)3-2-9-22-10-8-19-14-22/h6-8,10,14,16H,2-5,9,11-13H2,1H3/t16-/m0/s1
InChIKeyAYCICNYGKBMSML-INIZCTEOSA-N
MW343.43 g/mol
LogP1.62
Rot. Bonds7

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

4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one (PubChem CID 124942838) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
PubChem CID124942838
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1ccnc1
InChIInChI=1S/C18H25N5O2/c1-15-17(21-7-6-20-15)5-4-16-13-25-12-11-23(16)18(24)3-2-9-22-10-8-19-14-22/h6-8,10,14,16H,2-5,9,11-13H2,1H3/t16-/m0/s1
InChIKeyAYCICNYGKBMSML-INIZCTEOSA-N
XLogP1.62
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124941983
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 125013815
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 125026964
[(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
(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 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one (CID 124942838) is 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one is Cc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one?
The InChIKey is AYCICNYGKBMSML-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15-17(21-7-6-20-15)5-4-16-13-25-12-11-23(16)18(24)3-2-9-22-10-8-19-14-22/h6-8,10,14,16H,2-5,9,11-13H2,1H3/t16-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one?
4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.62, 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-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124942838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).