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

C13H7F5N4O — CID 10065195

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)C(F)(F)F)nc2[nH]1
InChIInChI=1S/C13H7F5N4O/c14-12(15,13(16,17)18)9-7(6-1-3-19-4-2-6)5-8-10(21-9)22-11(23)20-8/h1-5H,(H2,20,21,22,23)
InChIKeyPESFXPODUIUSOI-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.97
Rot. Bonds2

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

5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 10065195) has the molecular formula C13H7F5N4O and a molecular weight of 330.22 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID10065195
Molecular FormulaC13H7F5N4O
Molecular Weight330.22 g/mol
Exact Mass330.05
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)C(F)(F)F)nc2[nH]1
InChIInChI=1S/C13H7F5N4O/c14-12(15,13(16,17)18)9-7(6-1-3-19-4-2-6)5-8-10(21-9)22-11(23)20-8/h1-5H,(H2,20,21,22,23)
InChIKeyPESFXPODUIUSOI-UHFFFAOYSA-N
XLogP2.97
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 10065195) is 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)C(F)(F)F)nc2[nH]1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is PESFXPODUIUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N4O/c14-12(15,13(16,17)18)9-7(6-1-3-19-4-2-6)5-8-10(21-9)22-11(23)20-8/h1-5H,(H2,20,21,22,23).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 330.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10065195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).