2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C31H37F2N3OSi — CID 166518862

IUPAC2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(-c2nn(COCC[Si](C)(C)C)c3cc(F)c(-c4c(C)cccc4F)cc23)cc2c1CCN(C)C2
InChIInChI=1S/C31H37F2N3OSi/c1-20-8-7-9-27(32)30(20)25-16-26-29(17-28(25)33)36(19-37-12-13-38(4,5)6)34-31(26)22-14-21(2)24-10-11-35(3)18-23(24)15-22/h7-9,14-17H,10-13,18-19H2,1-6H3
InChIKeySGOWEBCWKDEFCC-UHFFFAOYSA-N
MW533.74 g/mol
LogP7.57
Rot. Bonds7

About 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 166518862) has the molecular formula C31H37F2N3OSi and a molecular weight of 533.74 g/mol. Its IUPAC name is 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID166518862
Molecular FormulaC31H37F2N3OSi
Molecular Weight533.74 g/mol
Exact Mass533.27
IUPAC Name2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(-c2nn(COCC[Si](C)(C)C)c3cc(F)c(-c4c(C)cccc4F)cc23)cc2c1CCN(C)C2
InChIInChI=1S/C31H37F2N3OSi/c1-20-8-7-9-27(32)30(20)25-16-26-29(17-28(25)33)36(19-37-12-13-38(4,5)6)34-31(26)22-14-21(2)24-10-11-35(3)18-23(24)15-22/h7-9,14-17H,10-13,18-19H2,1-6H3
InChIKeySGOWEBCWKDEFCC-UHFFFAOYSA-N
XLogP7.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.74
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-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-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 166518862) is 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(-c2nn(COCC[Si](C)(C)C)c3cc(F)c(-c4c(C)cccc4F)cc23)cc2c1CCN(C)C2.
What is the InChIKey of 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SGOWEBCWKDEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2N3OSi/c1-20-8-7-9-27(32)30(20)25-16-26-29(17-28(25)33)36(19-37-12-13-38(4,5)6)34-31(26)22-14-21(2)24-10-11-35(3)18-23(24)15-22/h7-9,14-17H,10-13,18-19H2,1-6H3.
What are the key properties of 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 533.74 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-fluoro-5-(2-fluoro-6-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 166518862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).