2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one

C23H29FN6O3Si — CID 67124040

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H29FN6O3Si/c1-34(2,3)11-10-33-15-29-19-13-26-21(18-12-25-20-5-4-16(24)14-28(18)20)27-22(19)30(23(29)31)17-6-8-32-9-7-17/h4-5,12-14,17H,6-11,15H2,1-3H3
InChIKeyNQGLGNBWUGOYPK-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.71
Rot. Bonds7

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 67124040) has the molecular formula C23H29FN6O3Si and a molecular weight of 484.61 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
PubChem CID67124040
Molecular FormulaC23H29FN6O3Si
Molecular Weight484.61 g/mol
Exact Mass484.21
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H29FN6O3Si/c1-34(2,3)11-10-33-15-29-19-13-26-21(18-12-25-20-5-4-16(24)14-28(18)20)27-22(19)30(23(29)31)17-6-8-32-9-7-17/h4-5,12-14,17H,6-11,15H2,1-3H3
InChIKeyNQGLGNBWUGOYPK-UHFFFAOYSA-N
XLogP3.71
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 67124040) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one is C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(F)cn34)ncc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is NQGLGNBWUGOYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3Si/c1-34(2,3)11-10-33-15-29-19-13-26-21(18-12-25-20-5-4-16(24)14-28(18)20)27-22(19)30(23(29)31)17-6-8-32-9-7-17/h4-5,12-14,17H,6-11,15H2,1-3H3.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one has a molecular weight of 484.61 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 67124040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).