4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one

C15H19N5O2 — CID 124944928

IUPAC4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H19N5O2/c21-15(2-1-6-19-7-5-17-12-19)20-8-9-22-14(11-20)13-10-16-3-4-18-13/h3-5,7,10,12,14H,1-2,6,8-9,11H2/t14-/m0/s1
InChIKeyBNJNBOCGZKTQQK-AWEZNQCLSA-N
MW301.35 g/mol
LogP1.05
Rot. Bonds5

About 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one

4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one (PubChem CID 124944928) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
PubChem CID124944928
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H19N5O2/c21-15(2-1-6-19-7-5-17-12-19)20-8-9-22-14(11-20)13-10-16-3-4-18-13/h3-5,7,10,12,14H,1-2,6,8-9,11H2/t14-/m0/s1
InChIKeyBNJNBOCGZKTQQK-AWEZNQCLSA-N
XLogP1.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
CID 127246236
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one (CID 124944928) is 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one is O=C(CCCn1ccnc1)N1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The InChIKey is BNJNBOCGZKTQQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(2-1-6-19-7-5-17-12-19)20-8-9-22-14(11-20)13-10-16-3-4-18-13/h3-5,7,10,12,14H,1-2,6,8-9,11H2/t14-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one has a molecular weight of 301.35 g/mol, XLogP of 1.05, 5 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-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 124944928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).