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

C23H20F3N3O3 — CID 58577733

IUPAC1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(OCC(F)(F)F)cc21
InChIInChI=1S/C23H20F3N3O3/c1-2-28-20-12-19(32-15-23(24,25)26)13-27-21(20)29(22(28)30)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3
InChIKeyCTPXROMQNNGQMT-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.73
Rot. Bonds7

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

1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one (PubChem CID 58577733) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
PubChem CID58577733
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(OCC(F)(F)F)cc21
InChIInChI=1S/C23H20F3N3O3/c1-2-28-20-12-19(32-15-23(24,25)26)13-27-21(20)29(22(28)30)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3
InChIKeyCTPXROMQNNGQMT-UHFFFAOYSA-N
XLogP4.73
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one (CID 58577733) is 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one is CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(OCC(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
The InChIKey is CTPXROMQNNGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-2-28-20-12-19(32-15-23(24,25)26)13-27-21(20)29(22(28)30)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3.
What are the key properties of 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one?
1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one has a molecular weight of 443.43 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58577733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).