2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine

C21H24FN5 — CID 95815716

IUPAC2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H24FN5/c1-2-20-24-9-11-27(20)21-13-23-12-19(25-21)17-4-3-10-26(15-17)14-16-5-7-18(22)8-6-16/h5-9,11-13,17H,2-4,10,14-15H2,1H3/t17-/m1/s1
InChIKeyCETDDNMVAWAZNZ-QGZVFWFLSA-N
MW365.46 g/mol
LogP3.74
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine

2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine (PubChem CID 95815716) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
PubChem CID95815716
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H24FN5/c1-2-20-24-9-11-27(20)21-13-23-12-19(25-21)17-4-3-10-26(15-17)14-16-5-7-18(22)8-6-16/h5-9,11-13,17H,2-4,10,14-15H2,1H3/t17-/m1/s1
InChIKeyCETDDNMVAWAZNZ-QGZVFWFLSA-N
XLogP3.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine (CID 95815716) is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine is CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is CETDDNMVAWAZNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24FN5/c1-2-20-24-9-11-27(20)21-13-23-12-19(25-21)17-4-3-10-26(15-17)14-16-5-7-18(22)8-6-16/h5-9,11-13,17H,2-4,10,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 365.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 95815716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).