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

C19H23N7 — CID 95815880

IUPAC2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C19H23N7/c1-3-17-22-8-10-26(17)19-12-20-11-16(24-19)15-5-4-9-25(13-15)18-6-7-21-14(2)23-18/h6-8,10-12,15H,3-5,9,13H2,1-2H3/t15-/m1/s1
InChIKeyQIGNQSOBVXVJSP-OAHLLOKOSA-N
MW349.44 g/mol
LogP2.71
Rot. Bonds4

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

2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine (PubChem CID 95815880) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
PubChem CID95815880
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C19H23N7/c1-3-17-22-8-10-26(17)19-12-20-11-16(24-19)15-5-4-9-25(13-15)18-6-7-21-14(2)23-18/h6-8,10-12,15H,3-5,9,13H2,1-2H3/t15-/m1/s1
InChIKeyQIGNQSOBVXVJSP-OAHLLOKOSA-N
XLogP2.71
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95815658
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
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124945589
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine (CID 95815880) is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine is CCc1nccn1-c1cncc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine?
The InChIKey is QIGNQSOBVXVJSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N7/c1-3-17-22-8-10-26(17)19-12-20-11-16(24-19)15-5-4-9-25(13-15)18-6-7-21-14(2)23-18/h6-8,10-12,15H,3-5,9,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine has a molecular weight of 349.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 95815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).