5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane

C41H47N9OS2Si — CID 161048277

IUPAC5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cscc1-c1cn(COCC[Si](C)(C)C)c(/C=C/c2nc3cccc(C)n3n2)n1.Cc1cscc1C1=CCC(CCc2nc3cccc(C)n3n2)=N1
InChIInChI=1S/C23H29N5OSSi.C18H18N4S/c1-17-14-30-15-19(17)20-13-27(16-29-11-12-31(3,4)5)22(24-20)10-9-21-25-23-8-6-7-18(2)28(23)26-21;1-12-10-23-11-15(12)16-8-6-14(19-16)7-9-17-20-18-5-3-4-13(2)22(18)21-17/h6-10,13-15H,11-12,16H2,1-5H3;3-5,8,10-11H,6-7,9H2,1-2H3/b10-9+;
InChIKeyUBUDPHMTUVWUCH-RRABGKBLSA-N
MW774.11 g/mol
LogP9.98
Rot. Bonds12

About 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane

5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 161048277) has the molecular formula C41H47N9OS2Si and a molecular weight of 774.11 g/mol. Its IUPAC name is 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID161048277
Molecular FormulaC41H47N9OS2Si
Molecular Weight774.11 g/mol
Exact Mass773.31
IUPAC Name5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cscc1-c1cn(COCC[Si](C)(C)C)c(/C=C/c2nc3cccc(C)n3n2)n1.Cc1cscc1C1=CCC(CCc2nc3cccc(C)n3n2)=N1
InChIInChI=1S/C23H29N5OSSi.C18H18N4S/c1-17-14-30-15-19(17)20-13-27(16-29-11-12-31(3,4)5)22(24-20)10-9-21-25-23-8-6-7-18(2)28(23)26-21;1-12-10-23-11-15(12)16-8-6-14(19-16)7-9-17-20-18-5-3-4-13(2)22(18)21-17/h6-10,13-15H,11-12,16H2,1-5H3;3-5,8,10-11H,6-7,9H2,1-2H3/b10-9+;
InChIKeyUBUDPHMTUVWUCH-RRABGKBLSA-N
XLogP9.98
TPSA99.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.11
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194
US9096589, 5-Methyl-2-{(E)-2-[4-(5-methyl-thiophen-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-vinyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53251778
8-(4-Methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 54589205
(3S)-3-[(3S)-1-(5-fluoro-2,3-dihydrothieno[2,3-b]pyridin-6-yl)pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 66820741
2-[(3S)-3-[2-fluoro-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]thiophene-3,4-dicarbonitrile
CID 66820969
2-[[4-[1-[2-fluoro-1-[(3S)-1-(5-fluoro-2,3-dihydrothieno[2,3-b]pyridin-6-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 68777162
2-[3-[2-Fluoro-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]thiophene-3,4-dicarbonitrile
CID 77172276
2-[2-[1-(2-Fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 118445859
5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
CID 159641157
5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
CID 160565864
5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 161051740

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 161048277) is 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane is Cc1cscc1-c1cn(COCC[Si](C)(C)C)c(/C=C/c2nc3cccc(C)n3n2)n1.Cc1cscc1C1=CCC(CCc2nc3cccc(C)n3n2)=N1.
What is the InChIKey of 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is UBUDPHMTUVWUCH-RRABGKBLSA-N. The full InChI is InChI=1S/C23H29N5OSSi.C18H18N4S/c1-17-14-30-15-19(17)20-13-27(16-29-11-12-31(3,4)5)22(24-20)10-9-21-25-23-8-6-7-18(2)28(23)26-21;1-12-10-23-11-15(12)16-8-6-14(19-16)7-9-17-20-18-5-3-4-13(2)22(18)21-17/h6-10,13-15H,11-12,16H2,1-5H3;3-5,8,10-11H,6-7,9H2,1-2H3/b10-9+;.
What are the key properties of 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 774.11 g/mol, XLogP of 9.98, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[5-(4-methylthiophen-3-yl)-3H-pyrrol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine;trimethyl-[2-[[4-(4-methylthiophen-3-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 161048277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).