1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone

C13H15N5O — CID 95838452

IUPAC1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O/c1-10(19)18-5-2-3-12(18)11-7-15-8-13(16-11)17-6-4-14-9-17/h4,6-9,12H,2-3,5H2,1H3/t12-/m1/s1
InChIKeyLSVNFFRLMPMUSG-GFCCVEGCSA-N
MW257.30 g/mol
LogP1.35
Rot. Bonds2

About 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone

1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95838452) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID95838452
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O/c1-10(19)18-5-2-3-12(18)11-7-15-8-13(16-11)17-6-4-14-9-17/h4,6-9,12H,2-3,5H2,1H3/t12-/m1/s1
InChIKeyLSVNFFRLMPMUSG-GFCCVEGCSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838459
1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826460
[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 124984370
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
CID 124981869
1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820901
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone (CID 95838452) is 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1.
What is the InChIKey of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is LSVNFFRLMPMUSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N5O/c1-10(19)18-5-2-3-12(18)11-7-15-8-13(16-11)17-6-4-14-9-17/h4,6-9,12H,2-3,5H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 257.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95838452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).