1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

C20H22N6O — CID 95838496

IUPAC1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCCc1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2cccnc2)n1
InChIInChI=1S/C20H22N6O/c1-2-18-23-8-10-26(18)19-14-22-13-16(24-19)17-6-4-9-25(17)20(27)11-15-5-3-7-21-12-15/h3,5,7-8,10,12-14,17H,2,4,6,9,11H2,1H3/t17-/m1/s1
InChIKeyBDZRKFIPAIHEPC-QGZVFWFLSA-N
MW362.44 g/mol
LogP2.53
Rot. Bonds5

About 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 95838496) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID95838496
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCCc1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2cccnc2)n1
InChIInChI=1S/C20H22N6O/c1-2-18-23-8-10-26(18)19-14-22-13-16(24-19)17-6-4-9-25(17)20(27)11-15-5-3-7-21-12-15/h3,5,7-8,10,12-14,17H,2,4,6,9,11H2,1H3/t17-/m1/s1
InChIKeyBDZRKFIPAIHEPC-QGZVFWFLSA-N
XLogP2.53
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95838299
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 95838496) is 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2cccnc2)n1.
What is the InChIKey of 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is BDZRKFIPAIHEPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-18-23-8-10-26(18)19-14-22-13-16(24-19)17-6-4-9-25(17)20(27)11-15-5-3-7-21-12-15/h3,5,7-8,10,12-14,17H,2,4,6,9,11H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 362.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 95838496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).