1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one

C16H14F3N3O3 — CID 67993515

IUPAC1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccc(O)cc2)c2ncc(OCC(F)(F)F)cc21
InChIInChI=1S/C16H14F3N3O3/c1-2-21-13-7-12(25-9-16(17,18)19)8-20-14(13)22(15(21)24)10-3-5-11(23)6-4-10/h3-8,23H,2,9H2,1H3
InChIKeyPESHWIRCBUTJPG-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one

1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one (PubChem CID 67993515) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
PubChem CID67993515
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccc(O)cc2)c2ncc(OCC(F)(F)F)cc21
InChIInChI=1S/C16H14F3N3O3/c1-2-21-13-7-12(25-9-16(17,18)19)8-20-14(13)22(15(21)24)10-3-5-11(23)6-4-10/h3-8,23H,2,9H2,1H3
InChIKeyPESHWIRCBUTJPG-UHFFFAOYSA-N
XLogP2.85
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one (CID 67993515) is 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one is CCn1c(=O)n(-c2ccc(O)cc2)c2ncc(OCC(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The InChIKey is PESHWIRCBUTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-2-21-13-7-12(25-9-16(17,18)19)8-20-14(13)22(15(21)24)10-3-5-11(23)6-4-10/h3-8,23H,2,9H2,1H3.
What are the key properties of 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one has a molecular weight of 353.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67993515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).