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

C23H30FN7O3Si — CID 89486089

IUPAC2-(2-amino-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(-c3c(N)nc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H30FN7O3Si/c1-35(2,3)11-10-34-14-30-17-12-26-21(19-20(25)27-18-5-4-15(24)13-29(18)19)28-22(17)31(23(30)32)16-6-8-33-9-7-16/h4-5,12-13,16H,6-11,14,25H2,1-3H3
InChIKeyRLZZWWJOGDFADF-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.29
Rot. Bonds7

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

2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 89486089) has the molecular formula C23H30FN7O3Si and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one.

Molecular Properties

Compound Name2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
PubChem CID89486089
Molecular FormulaC23H30FN7O3Si
Molecular Weight499.62 g/mol
Exact Mass499.22
IUPAC Name2-(2-amino-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(-c3c(N)nc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H30FN7O3Si/c1-35(2,3)11-10-34-14-30-17-12-26-21(19-20(25)27-18-5-4-15(24)13-29(18)19)28-22(17)31(23(30)32)16-6-8-33-9-7-16/h4-5,12-13,16H,6-11,14,25H2,1-3H3
InChIKeyRLZZWWJOGDFADF-UHFFFAOYSA-N
XLogP3.29
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 89486089) is 2-(2-amino-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-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 2-(2-amino-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(-c3c(N)nc4ccc(F)cn34)ncc21.
What is the InChIKey of 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is RLZZWWJOGDFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O3Si/c1-35(2,3)11-10-34-14-30-17-12-26-21(19-20(25)27-18-5-4-15(24)13-29(18)19)28-22(17)31(23(30)32)16-6-8-33-9-7-16/h4-5,12-13,16H,6-11,14,25H2,1-3H3.
What are the key properties of 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one?
2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one has a molecular weight of 499.62 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 89486089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).