[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone

C21H22FN5O — CID 125021197

IUPAC[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C
InChIInChI=1S/C21H22FN5O/c1-14-24-12-20(26(14)2)19-11-23-10-18(25-19)16-6-4-8-27(13-16)21(28)15-5-3-7-17(22)9-15/h3,5,7,9-12,16H,4,6,8,13H2,1-2H3/t16-/m1/s1
InChIKeyYHZQTFYNAKONFF-MRXNPFEDSA-N
MW379.44 g/mol
LogP3.34
Rot. Bonds3

About [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone

[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 125021197) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID125021197
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C
InChIInChI=1S/C21H22FN5O/c1-14-24-12-20(26(14)2)19-11-23-10-18(25-19)16-6-4-8-27(13-16)21(28)15-5-3-7-17(22)9-15/h3,5,7,9-12,16H,4,6,8,13H2,1-2H3/t16-/m1/s1
InChIKeyYHZQTFYNAKONFF-MRXNPFEDSA-N
XLogP3.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125006454
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124980349
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110255959

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 125021197) is [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C.
What is the InChIKey of [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is YHZQTFYNAKONFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14-24-12-20(26(14)2)19-11-23-10-18(25-19)16-6-4-8-27(13-16)21(28)15-5-3-7-17(22)9-15/h3,5,7,9-12,16H,4,6,8,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 125021197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).