[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H22N6O — CID 110095314

IUPAC[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2cncc(C3CCCN(C(=O)c4ccccn4)C3)n2)n1C
InChIInChI=1S/C20H22N6O/c1-14-23-12-19(25(14)2)18-11-21-10-17(24-18)15-6-5-9-26(13-15)20(27)16-7-3-4-8-22-16/h3-4,7-8,10-12,15H,5-6,9,13H2,1-2H3
InChIKeyOKJOAGXWXNROGQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.60
Rot. Bonds3

About [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110095314) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110095314
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2cncc(C3CCCN(C(=O)c4ccccn4)C3)n2)n1C
InChIInChI=1S/C20H22N6O/c1-14-23-12-19(25(14)2)18-11-21-10-17(24-18)15-6-5-9-26(13-15)20(27)16-7-3-4-8-22-16/h3-4,7-8,10-12,15H,5-6,9,13H2,1-2H3
InChIKeyOKJOAGXWXNROGQ-UHFFFAOYSA-N
XLogP2.60
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[3-[6-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110209
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125021197
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110214384
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 110095314) is [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is Cc1ncc(-c2cncc(C3CCCN(C(=O)c4ccccn4)C3)n2)n1C.
What is the InChIKey of [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is OKJOAGXWXNROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-23-12-19(25(14)2)18-11-21-10-17(24-18)15-6-5-9-26(13-15)20(27)16-7-3-4-8-22-16/h3-4,7-8,10-12,15H,5-6,9,13H2,1-2H3.
What are the key properties of [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110095314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).