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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Related Compounds

3-[7-(2-Hydroxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766427
Piperazine carbamate/urea derivative 4
CID 89487751
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
7-Methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 155537053
2-(1H-benzo[d]imidazol-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one
CID 46880119
2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one
CID 46880122
3-[8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766274
3-[7-Methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766423
3-[7-(2-Morpholin-4-ylethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766425
3-[7-[2-(Dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766426
3-[7-(2-Hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766428

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).