2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C17H20FIN4OSi — CID 58177445

IUPAC2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2nc(-c3cccnc3F)cnc21
InChIInChI=1S/C17H20FIN4OSi/c1-25(2,3)8-7-24-11-23-10-13(19)15-17(23)21-9-14(22-15)12-5-4-6-20-16(12)18/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyXXPOZGKRELPIDE-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.55
Rot. Bonds6

About 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58177445) has the molecular formula C17H20FIN4OSi and a molecular weight of 470.36 g/mol. Its IUPAC name is 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58177445
Molecular FormulaC17H20FIN4OSi
Molecular Weight470.36 g/mol
Exact Mass470.04
IUPAC Name2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2nc(-c3cccnc3F)cnc21
InChIInChI=1S/C17H20FIN4OSi/c1-25(2,3)8-7-24-11-23-10-13(19)15-17(23)21-9-14(22-15)12-5-4-6-20-16(12)18/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyXXPOZGKRELPIDE-UHFFFAOYSA-N
XLogP4.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
US10703755, Example 109
CID 132077032
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-[7-(3-Dimethylaminopropyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887417
2-{[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-ylmethyl]methylamino}ethanol
CID 24887880
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-[7-Diethylaminomethyl-2-(4-fluorophenyl)imidazo-[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24888084
4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-ylamine
CID 44444873
N-[4-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)phenyl]-5-Methylpyridin-2-Amine
CID 76210621

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58177445) is 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(I)c2nc(-c3cccnc3F)cnc21.
What is the InChIKey of 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XXPOZGKRELPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FIN4OSi/c1-25(2,3)8-7-24-11-23-10-13(19)15-17(23)21-9-14(22-15)12-5-4-6-20-16(12)18/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 470.36 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58177445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).