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

C48H60ClF5N14O7Si2 — CID 161298032

IUPAC2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3c(N)nc4ccc(F)cn34)ncc21.C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(Cl)ncc21.O=C(Nc1cn2cc(F)ccc2n1)C(F)(F)F
InChIInChI=1S/C23H30FN7O3Si.C16H25ClN4O3Si.C9H5F4N3O/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;1-25(2,3)9-8-24-11-20-13-10-18-15(17)19-14(13)21(16(20)22)12-4-6-23-7-5-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h4-5,12-13,16H,6-11,14,25H2,1-3H3;10,12H,4-9,11H2,1-3H3;1-4H,(H,15,17)
InChIKeyVHFUDDXYSJBNOG-UHFFFAOYSA-N
MW1131.71 g/mol
LogP8.18
Rot. Bonds14

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

2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide (PubChem CID 161298032) has the molecular formula C48H60ClF5N14O7Si2 and a molecular weight of 1131.71 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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
PubChem CID161298032
Molecular FormulaC48H60ClF5N14O7Si2
Molecular Weight1131.71 g/mol
Exact Mass1130.39
IUPAC Name2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESC[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3c(N)nc4ccc(F)cn34)ncc21.C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(Cl)ncc21.O=C(Nc1cn2cc(F)ccc2n1)C(F)(F)F
InChIInChI=1S/C23H30FN7O3Si.C16H25ClN4O3Si.C9H5F4N3O/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;1-25(2,3)9-8-24-11-20-13-10-18-15(17)19-14(13)21(16(20)22)12-4-6-23-7-5-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h4-5,12-13,16H,6-11,14,25H2,1-3H3;10,12H,4-9,11H2,1-3H3;1-4H,(H,15,17)
InChIKeyVHFUDDXYSJBNOG-UHFFFAOYSA-N
XLogP8.18
TPSA232.06 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.71
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide with MolForge

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Related Compounds

(R)-2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-(piperidin-3-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-purin-8(9H)-one
CID 67123643
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 67123645
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperazin-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one
CID 67123674
tert-butyl 4-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-9-(tetrahydro-2H-pyran-4-yl)-7-{[2-(trimethylsilyl)ethoxy]methyl}-8,9-dihydro-7H-purin-6-yl)piperazine-1-carboxylate
CID 67123846
(R)-9-(1-Acetylpiperidin-3-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-((2-(trimethyl silyl)ethoxy)methyl)-7H-purin-8(9H)-one
CID 67123934
9-(1-Acetylpiperidin-3-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 67123936
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 67123990
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(tetrahydro-2H-pyran-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-purin-8(9H)-one
CID 67124040
2-(2-Amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 89486089
acetamide;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 157716990
ethanamine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]purine-8-carboxylic acid;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)purine-8-carboxamide
CID 158078671
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 159317470

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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide?
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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide (CID 161298032) is 2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide.
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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide?
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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide is C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(-c3c(N)nc4ccc(F)cn34)ncc21.C[Si](C)(C)CCOCn1c(=O)n(C2CCOCC2)c2nc(Cl)ncc21.O=C(Nc1cn2cc(F)ccc2n1)C(F)(F)F.
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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide?
The InChIKey is VHFUDDXYSJBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O3Si.C16H25ClN4O3Si.C9H5F4N3O/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;1-25(2,3)9-8-24-11-20-13-10-18-15(17)19-14(13)21(16(20)22)12-4-6-23-7-5-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h4-5,12-13,16H,6-11,14,25H2,1-3H3;10,12H,4-9,11H2,1-3H3;1-4H,(H,15,17).
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-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide?
2-(2-amino-6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide has a molecular weight of 1131.71 g/mol, XLogP of 8.18, 14 rotatable bonds, 2 hydrogen bond donors, and 20 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;2-chloro-9-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)purin-8-one;2,2,2-trifluoro-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 161298032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).