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

C21H22FN5O — CID 110109922

IUPAC[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ncc(-c2nccnc2C2CCCN(C(=O)c3ccccc3F)C2)n1C
InChIInChI=1S/C21H22FN5O/c1-14-25-12-18(26(14)2)20-19(23-9-10-24-20)15-6-5-11-27(13-15)21(28)16-7-3-4-8-17(16)22/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyPJHVCORSTJAUNO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.34
Rot. Bonds3

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

[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 110109922) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID110109922
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ncc(-c2nccnc2C2CCCN(C(=O)c3ccccc3F)C2)n1C
InChIInChI=1S/C21H22FN5O/c1-14-25-12-18(26(14)2)20-19(23-9-10-24-20)15-6-5-11-27(13-15)21(28)16-7-3-4-8-17(16)22/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyPJHVCORSTJAUNO-UHFFFAOYSA-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

[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110840
1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
CID 124949567
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819329
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110095283
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110254005

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 110109922) is [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone is Cc1ncc(-c2nccnc2C2CCCN(C(=O)c3ccccc3F)C2)n1C.
What is the InChIKey of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is PJHVCORSTJAUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14-25-12-18(26(14)2)20-19(23-9-10-24-20)15-6-5-11-27(13-15)21(28)16-7-3-4-8-17(16)22/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3.
What are the key properties of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-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 [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 110109922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).