2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C20H26FN3O2Si — CID 90400970

IUPAC2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C20H26FN3O2Si/c1-5-26-16-6-7-18-17(13-16)20(15-8-9-22-19(21)12-15)23-24(18)14-25-10-11-27(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyAMEOSHZHZDPVGH-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.95
Rot. Bonds8

About 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90400970) has the molecular formula C20H26FN3O2Si and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90400970
Molecular FormulaC20H26FN3O2Si
Molecular Weight387.53 g/mol
Exact Mass387.18
IUPAC Name2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C20H26FN3O2Si/c1-5-26-16-6-7-18-17(13-16)20(15-8-9-22-19(21)12-15)23-24(18)14-25-10-11-27(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyAMEOSHZHZDPVGH-UHFFFAOYSA-N
XLogP4.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90400970) is 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CCOc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AMEOSHZHZDPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2Si/c1-5-26-16-6-7-18-17(13-16)20(15-8-9-22-19(21)12-15)23-24(18)14-25-10-11-27(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3.
What are the key properties of 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 387.53 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90400970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).