2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine

C20H24N6 — CID 110250066

IUPAC2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1nccnc1C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H24N6/c1-2-18-22-11-13-26(18)20-19(23-9-10-24-20)16-6-5-12-25(14-16)15-17-7-3-4-8-21-17/h3-4,7-11,13,16H,2,5-6,12,14-15H2,1H3
InChIKeyVUAQAYPUXALVGN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine

2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine (PubChem CID 110250066) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
PubChem CID110250066
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1nccnc1C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H24N6/c1-2-18-22-11-13-26(18)20-19(23-9-10-24-20)16-6-5-12-25(14-16)15-17-7-3-4-8-21-17/h3-4,7-11,13,16H,2,5-6,12,14-15H2,1H3
InChIKeyVUAQAYPUXALVGN-UHFFFAOYSA-N
XLogP3.00
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazine
CID 95810910
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
CID 95822106

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine (CID 110250066) is 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine is CCc1nccn1-c1nccnc1C1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The InChIKey is VUAQAYPUXALVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-2-18-22-11-13-26(18)20-19(23-9-10-24-20)16-6-5-12-25(14-16)15-17-7-3-4-8-21-17/h3-4,7-11,13,16H,2,5-6,12,14-15H2,1H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine has a molecular weight of 348.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 110250066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).