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

C23H30FN7O2Si — CID 67123643

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n([C@@H]2CCCNC2)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/t17-/m1/s1
InChIKeyLRIOXJLKLCZNEK-QGZVFWFLSA-N
MW483.62 g/mol
LogP3.28
Rot. Bonds7

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 67123643) 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-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
PubChem CID67123643
Molecular FormulaC23H30FN7O2Si
Molecular Weight483.62 g/mol
Exact Mass483.22
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[Si](C)(C)CCOCn1c(=O)n([C@@H]2CCCNC2)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/t17-/m1/s1
InChIKeyLRIOXJLKLCZNEK-QGZVFWFLSA-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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Related Compounds

2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
Piperazine carbamate/urea derivative 4
CID 89487751
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
CID 54754557
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
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 56670167
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
4-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl)pyrimidin-2-amine
CID 44449102
4-(H-imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-(piperidin-4-yl)pyrimidin-2-amine
CID 44586245
2-(1H-benzo[d]imidazol-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one
CID 46880119

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 67123643) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-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-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one is C[Si](C)(C)CCOCn1c(=O)n([C@@H]2CCCNC2)c2nc(-c3cnc4ccc(F)cn34)ncc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is LRIOXJLKLCZNEK-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(3R)-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-[(3R)-piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 67123643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).