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

C21H26FN5OSi — CID 140838223

IUPAC2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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(-c3cnn(CCF)c3)nc21
InChIInChI=1S/C21H26FN5OSi/c1-29(2,3)11-10-28-15-27-20-6-8-23-13-18(20)17-4-5-19(25-21(17)27)16-12-24-26(14-16)9-7-22/h4-6,8,12-14H,7,9-11,15H2,1-3H3
InChIKeyKYDKBGBILXPSCO-UHFFFAOYSA-N
MW411.56 g/mol
LogP4.73
Rot. Bonds8

About 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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 140838223) has the molecular formula C21H26FN5OSi and a molecular weight of 411.56 g/mol. Its IUPAC name is 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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 CID140838223
Molecular FormulaC21H26FN5OSi
Molecular Weight411.56 g/mol
Exact Mass411.19
IUPAC Name2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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(-c3cnn(CCF)c3)nc21
InChIInChI=1S/C21H26FN5OSi/c1-29(2,3)11-10-28-15-27-20-6-8-23-13-18(20)17-4-5-19(25-21(17)27)16-12-24-26(14-16)9-7-22/h4-6,8,12-14H,7,9-11,15H2,1-3H3
InChIKeyKYDKBGBILXPSCO-UHFFFAOYSA-N
XLogP4.73
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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 140838223) is 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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(-c3cnn(CCF)c3)nc21.
What is the InChIKey of 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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 KYDKBGBILXPSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5OSi/c1-29(2,3)11-10-28-15-27-20-6-8-23-13-18(20)17-4-5-19(25-21(17)27)16-12-24-26(14-16)9-7-22/h4-6,8,12-14H,7,9-11,15H2,1-3H3.
What are the key properties of 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-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 411.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-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 140838223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).