2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C22H27N5O2Si — CID 53251779

IUPAC2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc2nc(/C=C/c3nc(-c4ccco4)cn3COCC[Si](C)(C)C)nn12
InChIInChI=1S/C22H27N5O2Si/c1-17-7-5-9-22-24-20(25-27(17)22)10-11-21-23-18(19-8-6-12-29-19)15-26(21)16-28-13-14-30(2,3)4/h5-12,15H,13-14,16H2,1-4H3/b11-10+
InChIKeyXGNPYGXVMOBKPP-ZHACJKMWSA-N
MW421.58 g/mol
LogP4.98
Rot. Bonds8

About 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 53251779) has the molecular formula C22H27N5O2Si and a molecular weight of 421.58 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID53251779
Molecular FormulaC22H27N5O2Si
Molecular Weight421.58 g/mol
Exact Mass421.19
IUPAC Name2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc2nc(/C=C/c3nc(-c4ccco4)cn3COCC[Si](C)(C)C)nn12
InChIInChI=1S/C22H27N5O2Si/c1-17-7-5-9-22-24-20(25-27(17)22)10-11-21-23-18(19-8-6-12-29-19)15-26(21)16-28-13-14-30(2,3)4/h5-12,15H,13-14,16H2,1-4H3/b11-10+
InChIKeyXGNPYGXVMOBKPP-ZHACJKMWSA-N
XLogP4.98
TPSA70.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 53251779) is 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc2nc(/C=C/c3nc(-c4ccco4)cn3COCC[Si](C)(C)C)nn12.
What is the InChIKey of 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XGNPYGXVMOBKPP-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H27N5O2Si/c1-17-7-5-9-22-24-20(25-27(17)22)10-11-21-23-18(19-8-6-12-29-19)15-26(21)16-28-13-14-30(2,3)4/h5-12,15H,13-14,16H2,1-4H3/b11-10+.
What are the key properties of 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 421.58 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 53251779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).