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

C17H12F2N4O2 — CID 134493809

IUPAC6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4cc(F)cc(F)c4)cc32)no1
InChIInChI=1S/C17H12F2N4O2/c1-9-2-14(22-25-9)8-23-15-5-11(7-20-16(15)21-17(23)24)10-3-12(18)6-13(19)4-10/h2-7H,8H2,1H3,(H,20,21,24)
InChIKeyAXXJWYXKURHIPG-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.01
Rot. Bonds3

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

6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493809) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493809
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4cc(F)cc(F)c4)cc32)no1
InChIInChI=1S/C17H12F2N4O2/c1-9-2-14(22-25-9)8-23-15-5-11(7-20-16(15)21-17(23)24)10-3-12(18)6-13(19)4-10/h2-7H,8H2,1H3,(H,20,21,24)
InChIKeyAXXJWYXKURHIPG-UHFFFAOYSA-N
XLogP3.01
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493809) is 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1cc(Cn2c(=O)[nH]c3ncc(-c4cc(F)cc(F)c4)cc32)no1.
What is the InChIKey of 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is AXXJWYXKURHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c1-9-2-14(22-25-9)8-23-15-5-11(7-20-16(15)21-17(23)24)10-3-12(18)6-13(19)4-10/h2-7H,8H2,1H3,(H,20,21,24).
What are the key properties of 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 342.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).