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

C23H30FN7O2Si — CID 67123645

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCCNC2)c2nc(-c3cnc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H30FN7O2Si/c1-34(2,3)10-9-33-15-30-19-13-27-21(18-12-26-20-7-6-16(24)14-29(18)20)28-22(19)31(23(30)32)17-5-4-8-25-11-17/h6-7,12-14,17,25H,4-5,8-11,15H2,1-3H3
InChIKeyLRIOXJLKLCZNEK-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.28
Rot. Bonds7

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 67123645) has the molecular formula C23H30FN7O2Si and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
PubChem CID67123645
Molecular FormulaC23H30FN7O2Si
Molecular Weight483.62 g/mol
Exact Mass483.22
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCCNC2)c2nc(-c3cnc4ccc(F)cn34)ncc21
InChIInChI=1S/C23H30FN7O2Si/c1-34(2,3)10-9-33-15-30-19-13-27-21(18-12-26-20-7-6-16(24)14-29(18)20)28-22(19)31(23(30)32)17-5-4-8-25-11-17/h6-7,12-14,17,25H,4-5,8-11,15H2,1-3H3
InChIKeyLRIOXJLKLCZNEK-UHFFFAOYSA-N
XLogP3.28
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
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-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 67123645) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one is C[Si](C)(C)CCOCn1c(=O)n(C2CCCNC2)c2nc(-c3cnc4ccc(F)cn34)ncc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is LRIOXJLKLCZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O2Si/c1-34(2,3)10-9-33-15-30-19-13-27-21(18-12-26-20-7-6-16(24)14-29(18)20)28-22(19)31(23(30)32)17-5-4-8-25-11-17/h6-7,12-14,17,25H,4-5,8-11,15H2,1-3H3.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one has a molecular weight of 483.62 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 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-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 67123645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).