2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane

C21H23FN4OSi — CID 140838238

IUPAC2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(F)cn3)nc21
InChIInChI=1S/C21H23FN4OSi/c1-28(2,3)11-10-27-14-26-20-8-9-23-13-17(20)16-5-7-19(25-21(16)26)18-6-4-15(22)12-24-18/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyRDBCYVNHVAOJPS-UHFFFAOYSA-N
MW394.53 g/mol
LogP5.10
Rot. Bonds6

About 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane

2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140838238) has the molecular formula C21H23FN4OSi and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
PubChem CID140838238
Molecular FormulaC21H23FN4OSi
Molecular Weight394.53 g/mol
Exact Mass394.16
IUPAC Name2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(F)cn3)nc21
InChIInChI=1S/C21H23FN4OSi/c1-28(2,3)11-10-27-14-26-20-8-9-23-13-17(20)16-5-7-19(25-21(16)26)18-6-4-15(22)12-24-18/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyRDBCYVNHVAOJPS-UHFFFAOYSA-N
XLogP5.10
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane with MolForge

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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
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278565
US10703755, Example 109
CID 132077032
2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
CID 132077296
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968
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}pyridin-2-ylamine
CID 24745530
{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

Frequently Asked Questions

What is the IUPAC name of 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane (CID 140838238) is 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(F)cn3)nc21.
What is the InChIKey of 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RDBCYVNHVAOJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OSi/c1-28(2,3)11-10-27-14-26-20-8-9-23-13-17(20)16-5-7-19(25-21(16)26)18-6-4-15(22)12-24-18/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 394.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-(5-fluoro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140838238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).