ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate

C20H27FN6O3Si — CID 169324433

IUPACethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate
SMILESCCOC(=O)N[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1
InChIInChI=1S/C20H27FN6O3Si/c1-6-29-20(28)24-13(2)16-11-14(15(21)12-23-16)17-25-19(30-9-10-31(3,4)5)18-22-7-8-27(18)26-17/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,28)/t13-/m1/s1
InChIKeyYYZCKNIHEVZJPY-CYBMUJFWSA-N
MW446.56 g/mol
LogP3.85
Rot. Bonds8

About ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate

ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate (PubChem CID 169324433) has the molecular formula C20H27FN6O3Si and a molecular weight of 446.56 g/mol. Its IUPAC name is ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate
PubChem CID169324433
Molecular FormulaC20H27FN6O3Si
Molecular Weight446.56 g/mol
Exact Mass446.19
IUPAC Nameethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate
SMILESCCOC(=O)N[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1
InChIInChI=1S/C20H27FN6O3Si/c1-6-29-20(28)24-13(2)16-11-14(15(21)12-23-16)17-25-19(30-9-10-31(3,4)5)18-22-7-8-27(18)26-17/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,28)/t13-/m1/s1
InChIKeyYYZCKNIHEVZJPY-CYBMUJFWSA-N
XLogP3.85
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]ethyl]-3-(7,7-difluorohept-1-en-4-yl)-1-ethylurea
CID 163278715
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
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1-[[5-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-6-methoxy-3-pyridinyl]methyl]-3-[(4S)-7,7-difluorooct-1-en-4-yl]-1-ethylurea
CID 163278741
ethyl N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]carbamate
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CID 3284274
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
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ethyl imidazo[1,2-b]pyridazine-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate?
The IUPAC name of ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate (CID 169324433) is ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate?
The canonical SMILES for ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate is CCOC(=O)N[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1.
What is the InChIKey of ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate?
The InChIKey is YYZCKNIHEVZJPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27FN6O3Si/c1-6-29-20(28)24-13(2)16-11-14(15(21)12-23-16)17-25-19(30-9-10-31(3,4)5)18-22-7-8-27(18)26-17/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,28)/t13-/m1/s1.
What are the key properties of ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate?
ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate has a molecular weight of 446.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 169324433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).