6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

C17H13FN4O2 — CID 134493740

IUPAC6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4ccc(F)cc4)cc32)no1
InChIInChI=1S/C17H13FN4O2/c1-10-6-14(21-24-10)9-22-15-7-12(8-19-16(15)20-17(22)23)11-2-4-13(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyXBOYMQBHPFURQP-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.88
Rot. Bonds3

About 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493740) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493740
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4ccc(F)cc4)cc32)no1
InChIInChI=1S/C17H13FN4O2/c1-10-6-14(21-24-10)9-22-15-7-12(8-19-16(15)20-17(22)23)11-2-4-13(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyXBOYMQBHPFURQP-UHFFFAOYSA-N
XLogP2.88
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493740) is 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1cc(Cn2c(=O)[nH]c3ncc(-c4ccc(F)cc4)cc32)no1.
What is the InChIKey of 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is XBOYMQBHPFURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-10-6-14(21-24-10)9-22-15-7-12(8-19-16(15)20-17(22)23)11-2-4-13(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23).
What are the key properties of 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 324.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).