2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane

C26H29N3O2SSi — CID 86699234

IUPAC2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2nn(COCC[Si](C)(C)C)c3c2Cc2sc(-c4cccnc4)cc2-3)cc1
InChIInChI=1S/C26H29N3O2SSi/c1-30-20-9-7-18(8-10-20)25-22-15-24-21(14-23(32-24)19-6-5-11-27-16-19)26(22)29(28-25)17-31-12-13-33(2,3)4/h5-11,14,16H,12-13,15,17H2,1-4H3
InChIKeyBAKNHWRPHKEAET-UHFFFAOYSA-N
MW475.69 g/mol
LogP6.57
Rot. Bonds8

About 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane

2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86699234) has the molecular formula C26H29N3O2SSi and a molecular weight of 475.69 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane
PubChem CID86699234
Molecular FormulaC26H29N3O2SSi
Molecular Weight475.69 g/mol
Exact Mass475.17
IUPAC Name2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2nn(COCC[Si](C)(C)C)c3c2Cc2sc(-c4cccnc4)cc2-3)cc1
InChIInChI=1S/C26H29N3O2SSi/c1-30-20-9-7-18(8-10-20)25-22-15-24-21(14-23(32-24)19-6-5-11-27-16-19)26(22)29(28-25)17-31-12-13-33(2,3)4/h5-11,14,16H,12-13,15,17H2,1-4H3
InChIKeyBAKNHWRPHKEAET-UHFFFAOYSA-N
XLogP6.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.69
LogP ≤ 56.57
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-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-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

Related Compounds

trimethyl-[2-[[5-[4-[4-(trifluoromethyl)phenyl]phenyl]-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl]silane
CID 86699210
trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 42612115
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
5-[4-(4-methylpiperazin-1-yl)phenyl]-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrochloride
CID 71815380
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
2-[[3-(6-fluoro-3-pyridinyl)-6-[(4-methylpiperazin-1-yl)methyl]-4H-indeno[2,1-d]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69201902
5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),10-diene
CID 90684349
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
3-(5-methoxy-1H-inden-2-yl)pyridine
CID 6540048
4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine
CID 134907995

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane (CID 86699234) is 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane is COc1ccc(-c2nn(COCC[Si](C)(C)C)c3c2Cc2sc(-c4cccnc4)cc2-3)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BAKNHWRPHKEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2SSi/c1-30-20-9-7-18(8-10-20)25-22-15-24-21(14-23(32-24)19-6-5-11-27-16-19)26(22)29(28-25)17-31-12-13-33(2,3)4/h5-11,14,16H,12-13,15,17H2,1-4H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 475.69 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86699234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).