3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one

C19H16N6O — CID 57195802

IUPAC3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Cc2cncn2Cc2cnccn2)cccn1-c1ccccn1
InChIInChI=1S/C19H16N6O/c26-19-15(4-3-9-25(19)18-5-1-2-6-23-18)10-17-12-21-14-24(17)13-16-11-20-7-8-22-16/h1-9,11-12,14H,10,13H2
InChIKeyIJENJVKTMXQVTG-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.86
Rot. Bonds5

About 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one

3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one (PubChem CID 57195802) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one
PubChem CID57195802
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Cc2cncn2Cc2cnccn2)cccn1-c1ccccn1
InChIInChI=1S/C19H16N6O/c26-19-15(4-3-9-25(19)18-5-1-2-6-23-18)10-17-12-21-14-24(17)13-16-11-20-7-8-22-16/h1-9,11-12,14H,10,13H2
InChIKeyIJENJVKTMXQVTG-UHFFFAOYSA-N
XLogP1.86
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 15895919
N-methyl-1-[3-(pyridin-2-ylmethyl)imidazol-4-yl]methanamine
CID 66147540
2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 141101786
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
2-(pyrazin-2-ylmethyl)phenol
CID 67682794
6-(dimethylamino)-2-(pyrazin-2-ylmethyl)pyridazin-3-one
CID 126857359
(2E)-2-hydroxyimino-6-(pyrazin-2-ylmethyl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-9-one
CID 170208412
[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
CID 82744844
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114716878

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one (CID 57195802) is 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one is O=c1c(Cc2cncn2Cc2cnccn2)cccn1-c1ccccn1.
What is the InChIKey of 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one?
The InChIKey is IJENJVKTMXQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19-15(4-3-9-25(19)18-5-1-2-6-23-18)10-17-12-21-14-24(17)13-16-11-20-7-8-22-16/h1-9,11-12,14H,10,13H2.
What are the key properties of 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one?
3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one has a molecular weight of 344.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 57195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).