1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C17H22N6O2 — CID 95838459

IUPAC1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C17H22N6O2/c24-17(12-21-6-8-25-9-7-21)23-4-1-2-15(23)14-10-19-11-16(20-14)22-5-3-18-13-22/h3,5,10-11,13,15H,1-2,4,6-9,12H2/t15-/m1/s1
InChIKeyUHGGFZAPPYVXQJ-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.66
Rot. Bonds4

About 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95838459) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95838459
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C17H22N6O2/c24-17(12-21-6-8-25-9-7-21)23-4-1-2-15(23)14-10-19-11-16(20-14)22-5-3-18-13-22/h3,5,10-11,13,15H,1-2,4,6-9,12H2/t15-/m1/s1
InChIKeyUHGGFZAPPYVXQJ-OAHLLOKOSA-N
XLogP0.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

1-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838461
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 124984370
1-[2-[6-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110270198
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838646
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95827703

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 95838459) is 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1.
What is the InChIKey of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is UHGGFZAPPYVXQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(12-21-6-8-25-9-7-21)23-4-1-2-15(23)14-10-19-11-16(20-14)22-5-3-18-13-22/h3,5,10-11,13,15H,1-2,4,6-9,12H2/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 342.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95838459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).