4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one

C13H9N3O2 — CID 142677427

IUPAC4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one
SMILESO=c1cc(-n2ccnc2)cc(-c2ccncc2)o1
InChIInChI=1S/C13H9N3O2/c17-13-8-11(16-6-5-15-9-16)7-12(18-13)10-1-3-14-4-2-10/h1-9H
InChIKeyXVDZZKYOPLLRKW-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.89
Rot. Bonds2

About 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one

4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one (PubChem CID 142677427) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one.

Molecular Properties

Compound Name4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one
PubChem CID142677427
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one
SMILESO=c1cc(-n2ccnc2)cc(-c2ccncc2)o1
InChIInChI=1S/C13H9N3O2/c17-13-8-11(16-6-5-15-9-16)7-12(18-13)10-1-3-14-4-2-10/h1-9H
InChIKeyXVDZZKYOPLLRKW-UHFFFAOYSA-N
XLogP1.89
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one?
The IUPAC name of 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one (CID 142677427) is 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one.
What is the SMILES notation for 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one?
The canonical SMILES for 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one is O=c1cc(-n2ccnc2)cc(-c2ccncc2)o1.
What is the InChIKey of 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one?
The InChIKey is XVDZZKYOPLLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13-8-11(16-6-5-15-9-16)7-12(18-13)10-1-3-14-4-2-10/h1-9H.
What are the key properties of 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one?
4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one has a molecular weight of 239.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-pyridin-4-ylpyran-2-one is sourced from PubChem (CID 142677427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).