1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

C21H24N6O — CID 95810981

IUPAC1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C21H24N6O/c1-2-18-23-11-14-27(18)21-20(24-9-10-25-21)17-5-12-26(13-6-17)19(28)15-16-3-7-22-8-4-16/h3-4,7-11,14,17H,2,5-6,12-13,15H2,1H3
InChIKeyRTCRNPPBGFYWSS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 95810981) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID95810981
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C21H24N6O/c1-2-18-23-11-14-27(18)21-20(24-9-10-25-21)17-5-12-26(13-6-17)19(28)15-16-3-7-22-8-4-16/h3-4,7-11,14,17H,2,5-6,12-13,15H2,1H3
InChIKeyRTCRNPPBGFYWSS-UHFFFAOYSA-N
XLogP2.57
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone with MolForge

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Related Compounds

2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175657175
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazine
CID 95810910
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95811002
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110095283
1-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99929054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (CID 95810981) is 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is CCc1nccn1-c1nccnc1C1CCN(C(=O)Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is RTCRNPPBGFYWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-18-23-11-14-27(18)21-20(24-9-10-25-21)17-5-12-26(13-6-17)19(28)15-16-3-7-22-8-4-16/h3-4,7-11,14,17H,2,5-6,12-13,15H2,1H3.
What are the key properties of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 376.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 95810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).