2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

C20H22FN5 — CID 95838571

IUPAC2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5/c1-2-19-23-9-11-26(19)20-13-22-12-17(24-20)18-4-3-10-25(18)14-15-5-7-16(21)8-6-15/h5-9,11-13,18H,2-4,10,14H2,1H3/t18-/m1/s1
InChIKeyKYHPDROFQFDTAP-GOSISDBHSA-N
MW351.43 g/mol
LogP3.70
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (PubChem CID 95838571) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
PubChem CID95838571
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESCCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5/c1-2-19-23-9-11-26(19)20-13-22-12-17(24-20)18-4-3-10-25(18)14-15-5-7-16(21)8-6-15/h5-9,11-13,18H,2-4,10,14H2,1H3/t18-/m1/s1
InChIKeyKYHPDROFQFDTAP-GOSISDBHSA-N
XLogP3.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
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)pyridine
CID 110268024
[(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
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815941
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (CID 95838571) is 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is CCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The InChIKey is KYHPDROFQFDTAP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN5/c1-2-19-23-9-11-26(19)20-13-22-12-17(24-20)18-4-3-10-25(18)14-15-5-7-16(21)8-6-15/h5-9,11-13,18H,2-4,10,14H2,1H3/t18-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine has a molecular weight of 351.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95838571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).