6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H7F3N4O — CID 5487388

IUPAC6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20)
InChIKeyJSUZBWHUZJJRII-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.33
Rot. Bonds1

About 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 5487388) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID5487388
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20)
InChIKeyJSUZBWHUZJJRII-UHFFFAOYSA-N
XLogP2.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 5487388) is 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is JSUZBWHUZJJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20).
What are the key properties of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 280.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 5487388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).