2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine

C19H22N6 — CID 95838557

IUPAC2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H22N6/c1-2-18-22-8-10-25(18)19-13-21-12-16(23-19)17-6-4-9-24(17)14-15-5-3-7-20-11-15/h3,5,7-8,10-13,17H,2,4,6,9,14H2,1H3/t17-/m0/s1
InChIKeyQQGWBUMAKCIFGO-KRWDZBQOSA-N
MW334.43 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine

2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 95838557) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID95838557
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H22N6/c1-2-18-22-8-10-25(18)19-13-21-12-16(23-19)17-6-4-9-24(17)14-15-5-3-7-20-11-15/h3,5,7-8,10-13,17H,2,4,6,9,14H2,1H3/t17-/m0/s1
InChIKeyQQGWBUMAKCIFGO-KRWDZBQOSA-N
XLogP2.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
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-[(2R)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815941
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
CID 95839027

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 95838557) is 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is CCc1nccn1-c1cncc([C@@H]2CCCN2Cc2cccnc2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is QQGWBUMAKCIFGO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-18-22-8-10-25(18)19-13-21-12-16(23-19)17-6-4-9-24(17)14-15-5-3-7-20-11-15/h3,5,7-8,10-13,17H,2,4,6,9,14H2,1H3/t17-/m0/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 334.43 g/mol, XLogP of 2.96, 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)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95838557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).