7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one

C17H27N3O4Si — CID 141469854

IUPAC7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)[nH]c2c(OC3CCOCC3)ccnc21
InChIInChI=1S/C17H27N3O4Si/c1-25(2,3)11-10-23-12-20-16-15(19-17(20)21)14(4-7-18-16)24-13-5-8-22-9-6-13/h4,7,13H,5-6,8-12H2,1-3H3,(H,19,21)
InChIKeyLUCJMNWGPXEOPX-UHFFFAOYSA-N
MW365.51 g/mol
LogP2.59
Rot. Bonds7

About 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one

7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 141469854) has the molecular formula C17H27N3O4Si and a molecular weight of 365.51 g/mol. Its IUPAC name is 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID141469854
Molecular FormulaC17H27N3O4Si
Molecular Weight365.51 g/mol
Exact Mass365.18
IUPAC Name7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)[nH]c2c(OC3CCOCC3)ccnc21
InChIInChI=1S/C17H27N3O4Si/c1-25(2,3)11-10-23-12-20-16-15(19-17(20)21)14(4-7-18-16)24-13-5-8-22-9-6-13/h4,7,13H,5-6,8-12H2,1-3H3,(H,19,21)
InChIKeyLUCJMNWGPXEOPX-UHFFFAOYSA-N
XLogP2.59
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 141469854) is 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one is C[Si](C)(C)CCOCn1c(=O)[nH]c2c(OC3CCOCC3)ccnc21.
What is the InChIKey of 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is LUCJMNWGPXEOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4Si/c1-25(2,3)11-10-23-12-20-16-15(19-17(20)21)14(4-7-18-16)24-13-5-8-22-9-6-13/h4,7,13H,5-6,8-12H2,1-3H3,(H,19,21).
What are the key properties of 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one?
7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 365.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 141469854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).