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

C24H35FN6O3Si — CID 163278244

IUPACtert-butyl N-ethyl-N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1
InChIInChI=1S/C24H35FN6O3Si/c1-9-30(23(32)34-24(3,4)5)16(2)19-14-17(18(25)15-27-19)20-28-22(33-12-13-35(6,7)8)21-26-10-11-31(21)29-20/h10-11,14-16H,9,12-13H2,1-8H3/t16-/m1/s1
InChIKeyJKQUQZSVXHCZEB-MRXNPFEDSA-N
MW502.67 g/mol
LogP5.36
Rot. Bonds8

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

tert-butyl N-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 163278244) has the molecular formula C24H35FN6O3Si and a molecular weight of 502.67 g/mol. Its IUPAC name is tert-butyl N-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 Nametert-butyl N-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 CID163278244
Molecular FormulaC24H35FN6O3Si
Molecular Weight502.67 g/mol
Exact Mass502.25
IUPAC Nametert-butyl N-ethyl-N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1
InChIInChI=1S/C24H35FN6O3Si/c1-9-30(23(32)34-24(3,4)5)16(2)19-14-17(18(25)15-27-19)20-28-22(33-12-13-35(6,7)8)21-26-10-11-31(21)29-20/h10-11,14-16H,9,12-13H2,1-8H3/t16-/m1/s1
InChIKeyJKQUQZSVXHCZEB-MRXNPFEDSA-N
XLogP5.36
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-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 tert-butyl N-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 163278244) is tert-butyl N-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 tert-butyl N-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 tert-butyl N-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 CCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(-c2nc(OCC[Si](C)(C)C)c3nccn3n2)c(F)cn1.
What is the InChIKey of tert-butyl N-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 JKQUQZSVXHCZEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H35FN6O3Si/c1-9-30(23(32)34-24(3,4)5)16(2)19-14-17(18(25)15-27-19)20-28-22(33-12-13-35(6,7)8)21-26-10-11-31(21)29-20/h10-11,14-16H,9,12-13H2,1-8H3/t16-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(1R)-1-[5-fluoro-4-[4-(2-trimethylsilylethoxy)imidazo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethyl]carbamate?
tert-butyl N-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 502.67 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-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 163278244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).