1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one

C23H23FN4O3 — CID 122648206

IUPAC1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(C)=O)cc1F
InChIInChI=1S/C23H23FN4O3/c1-13(29)12-28-21(8-6-16-5-7-20(30-4)18(24)9-16)26-19-10-17(11-25-23(19)28)22-14(2)27-31-15(22)3/h5,7,9-11H,6,8,12H2,1-4H3
InChIKeyJSSGGVAQHYFONE-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.23
Rot. Bonds7

About 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one

1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one (PubChem CID 122648206) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one
PubChem CID122648206
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(C)=O)cc1F
InChIInChI=1S/C23H23FN4O3/c1-13(29)12-28-21(8-6-16-5-7-20(30-4)18(24)9-16)26-19-10-17(11-25-23(19)28)22-14(2)27-31-15(22)3/h5,7,9-11H,6,8,12H2,1-4H3
InChIKeyJSSGGVAQHYFONE-UHFFFAOYSA-N
XLogP4.23
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one?
The IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one (CID 122648206) is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(C)=O)cc1F.
What is the InChIKey of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one?
The InChIKey is JSSGGVAQHYFONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-13(29)12-28-21(8-6-16-5-7-20(30-4)18(24)9-16)26-19-10-17(11-25-23(19)28)22-14(2)27-31-15(22)3/h5,7,9-11H,6,8,12H2,1-4H3.
What are the key properties of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one?
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one has a molecular weight of 422.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]propan-2-one is sourced from PubChem (CID 122648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).