1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one

C15H11F2N3O — CID 142839970

IUPAC1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one
SMILESC=CCn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C15H11F2N3O/c1-2-6-19-14-13(4-3-5-18-14)20(15(19)21)12-8-10(16)7-11(17)9-12/h2-5,7-9H,1,6H2
InChIKeyFUGXPHXYRJGYPY-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.65
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one

1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one (PubChem CID 142839970) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one
PubChem CID142839970
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one
SMILESC=CCn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C15H11F2N3O/c1-2-6-19-14-13(4-3-5-18-14)20(15(19)21)12-8-10(16)7-11(17)9-12/h2-5,7-9H,1,6H2
InChIKeyFUGXPHXYRJGYPY-UHFFFAOYSA-N
XLogP2.65
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one (CID 142839970) is 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one is C=CCn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one?
The InChIKey is FUGXPHXYRJGYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-2-6-19-14-13(4-3-5-18-14)20(15(19)21)12-8-10(16)7-11(17)9-12/h2-5,7-9H,1,6H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one?
1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one has a molecular weight of 287.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-prop-2-enylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142839970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).