4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one

C11H15FN4O — CID 86595029

IUPAC4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1NC2C(=CC=CN2F)N1C1CCNCC1
InChIInChI=1S/C11H15FN4O/c12-15-7-1-2-9-10(15)14-11(17)16(9)8-3-5-13-6-4-8/h1-2,7-8,10,13H,3-6H2,(H,14,17)
InChIKeyXIYNBODCZBHHAS-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.69
Rot. Bonds1

About 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one

4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 86595029) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID86595029
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1NC2C(=CC=CN2F)N1C1CCNCC1
InChIInChI=1S/C11H15FN4O/c12-15-7-1-2-9-10(15)14-11(17)16(9)8-3-5-13-6-4-8/h1-2,7-8,10,13H,3-6H2,(H,14,17)
InChIKeyXIYNBODCZBHHAS-UHFFFAOYSA-N
XLogP0.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one (CID 86595029) is 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one is O=C1NC2C(=CC=CN2F)N1C1CCNCC1.
What is the InChIKey of 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is XIYNBODCZBHHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-15-7-1-2-9-10(15)14-11(17)16(9)8-3-5-13-6-4-8/h1-2,7-8,10,13H,3-6H2,(H,14,17).
What are the key properties of 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one?
4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-piperidin-4-yl-3,3a-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 86595029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).