[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C21H22FN5O — CID 110250053

IUPAC[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nccn1-c1nccnc1C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN5O/c1-2-18-23-11-13-27(18)20-19(24-9-10-25-20)16-4-3-12-26(14-16)21(28)15-5-7-17(22)8-6-15/h5-11,13,16H,2-4,12,14H2,1H3
InChIKeyJEWIJXTUWFEPPQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.38
Rot. Bonds4

About [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 110250053) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID110250053
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nccn1-c1nccnc1C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN5O/c1-2-18-23-11-13-27(18)20-19(24-9-10-25-20)16-4-3-12-26(14-16)21(28)15-5-7-17(22)8-6-15/h5-11,13,16H,2-4,12,14H2,1H3
InChIKeyJEWIJXTUWFEPPQ-UHFFFAOYSA-N
XLogP3.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95810882
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95810867
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110120163
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175657175
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 110250053) is [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is CCc1nccn1-c1nccnc1C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is JEWIJXTUWFEPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-2-18-23-11-13-27(18)20-19(24-9-10-25-20)16-4-3-12-26(14-16)21(28)15-5-7-17(22)8-6-15/h5-11,13,16H,2-4,12,14H2,1H3.
What are the key properties of [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 110250053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).