[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H22N6O — CID 95815613

IUPAC[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-2-18-23-9-12-26(18)19-14-22-13-17(24-19)15-5-10-25(11-6-15)20(27)16-3-7-21-8-4-16/h3-4,7-9,12-15H,2,5-6,10-11H2,1H3
InChIKeyDXANJXXMDILHTC-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.64
Rot. Bonds4

About [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95815613) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95815613
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-2-18-23-9-12-26(18)19-14-22-13-17(24-19)15-5-10-25(11-6-15)20(27)16-3-7-21-8-4-16/h3-4,7-9,12-15H,2,5-6,10-11H2,1H3
InChIKeyDXANJXXMDILHTC-UHFFFAOYSA-N
XLogP2.64
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95815658
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110111276
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
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
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 95815613) is [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is CCc1nccn1-c1cncc(C2CCN(C(=O)c3ccncc3)CC2)n1.
What is the InChIKey of [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DXANJXXMDILHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-18-23-9-12-26(18)19-14-22-13-17(24-19)15-5-10-25(11-6-15)20(27)16-3-7-21-8-4-16/h3-4,7-9,12-15H,2,5-6,10-11H2,1H3.
What are the key properties of [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95815613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).