5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one

C19H20N6O2 — CID 72849233

IUPAC5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C19H20N6O2/c26-17-11-22-16(10-23-17)19(27)25-8-3-4-14(12-25)18-21-7-9-24(18)13-15-5-1-2-6-20-15/h1-2,5-7,9-11,14H,3-4,8,12-13H2,(H,23,26)
InChIKeyXDGWAAYKFBHFPC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.43
Rot. Bonds4

About 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 72849233) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID72849233
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C19H20N6O2/c26-17-11-22-16(10-23-17)19(27)25-8-3-4-14(12-25)18-21-7-9-24(18)13-15-5-1-2-6-20-15/h1-2,5-7,9-11,14H,3-4,8,12-13H2,(H,23,26)
InChIKeyXDGWAAYKFBHFPC-UHFFFAOYSA-N
XLogP1.43
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
(5-methyl-1,2-oxazol-3-yl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72899366
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97150810
5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 72908366
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72909128
4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97155832
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97275072
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281633
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 72849233) is 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCC(c2nccn2Cc2ccccn2)C1.
What is the InChIKey of 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is XDGWAAYKFBHFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17-11-22-16(10-23-17)19(27)25-8-3-4-14(12-25)18-21-7-9-24(18)13-15-5-1-2-6-20-15/h1-2,5-7,9-11,14H,3-4,8,12-13H2,(H,23,26).
What are the key properties of 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 72849233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).