6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one

C17H16FN3O2 — CID 134493783

IUPAC6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(=O)Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C17H16FN3O2/c1-3-13(22)9-21-15-7-12(8-19-16(15)20-17(21)23)11-4-5-14(18)10(2)6-11/h4-8H,3,9H2,1-2H3,(H,19,20,23)
InChIKeyDEHZJGNEFCRBIT-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.82
Rot. Bonds4

About 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one

6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493783) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493783
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(=O)Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C17H16FN3O2/c1-3-13(22)9-21-15-7-12(8-19-16(15)20-17(21)23)11-4-5-14(18)10(2)6-11/h4-8H,3,9H2,1-2H3,(H,19,20,23)
InChIKeyDEHZJGNEFCRBIT-UHFFFAOYSA-N
XLogP2.82
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493783) is 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one is CCC(=O)Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3)cc21.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DEHZJGNEFCRBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-13(22)9-21-15-7-12(8-19-16(15)20-17(21)23)11-4-5-14(18)10(2)6-11/h4-8H,3,9H2,1-2H3,(H,19,20,23).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 313.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).