[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone

C21H21FN4O — CID 95838768

IUPAC[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-2-19-23-12-14-26(19)20-7-3-5-17(24-20)18-6-4-13-25(18)21(27)15-8-10-16(22)11-9-15/h3,5,7-12,14,18H,2,4,6,13H2,1H3/t18-/m0/s1
InChIKeyDWYUDXQHHZSBMW-SFHVURJKSA-N
MW364.42 g/mol
LogP3.95
Rot. Bonds4

About [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone

[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95838768) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95838768
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-2-19-23-12-14-26(19)20-7-3-5-17(24-20)18-6-4-13-25(18)21(27)15-8-10-16(22)11-9-15/h3,5,7-12,14,18H,2,4,6,13H2,1H3/t18-/m0/s1
InChIKeyDWYUDXQHHZSBMW-SFHVURJKSA-N
XLogP3.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110122450
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
2-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 95815943
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone (CID 95838768) is [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone is CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is DWYUDXQHHZSBMW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-19-23-12-14-26(19)20-7-3-5-17(24-20)18-6-4-13-25(18)21(27)15-8-10-16(22)11-9-15/h3,5,7-12,14,18H,2,4,6,13H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 364.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95838768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).