2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

C27H35BN2O3SSi — CID 66791287

IUPAC2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(-c3cc4ccccc4s3)c3nn(COCC[Si](C)(C)C)cc3c2)OC1(C)C
InChIInChI=1S/C27H35BN2O3SSi/c1-26(2)27(3,4)33-28(32-26)21-14-20-17-30(18-31-12-13-35(5,6)7)29-25(20)22(16-21)24-15-19-10-8-9-11-23(19)34-24/h8-11,14-17H,12-13,18H2,1-7H3
InChIKeyZCELRYIHOUJDOL-UHFFFAOYSA-N
MW506.55 g/mol
LogP6.53
Rot. Bonds7

About 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 66791287) has the molecular formula C27H35BN2O3SSi and a molecular weight of 506.55 g/mol. Its IUPAC name is 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID66791287
Molecular FormulaC27H35BN2O3SSi
Molecular Weight506.55 g/mol
Exact Mass506.22
IUPAC Name2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(-c3cc4ccccc4s3)c3nn(COCC[Si](C)(C)C)cc3c2)OC1(C)C
InChIInChI=1S/C27H35BN2O3SSi/c1-26(2)27(3,4)33-28(32-26)21-14-20-17-30(18-31-12-13-35(5,6)7)29-25(20)22(16-21)24-15-19-10-8-9-11-23(19)34-24/h8-11,14-17H,12-13,18H2,1-7H3
InChIKeyZCELRYIHOUJDOL-UHFFFAOYSA-N
XLogP6.53
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 56.53
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-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 66791287) is 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is CC1(C)OB(c2cc(-c3cc4ccccc4s3)c3nn(COCC[Si](C)(C)C)cc3c2)OC1(C)C.
What is the InChIKey of 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZCELRYIHOUJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BN2O3SSi/c1-26(2)27(3,4)33-28(32-26)21-14-20-17-30(18-31-12-13-35(5,6)7)29-25(20)22(16-21)24-15-19-10-8-9-11-23(19)34-24/h8-11,14-17H,12-13,18H2,1-7H3.
What are the key properties of 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 506.55 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66791287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).