2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C17H23BrN4OSi — CID 66995153

IUPAC2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)cn1
InChIInChI=1S/C17H23BrN4OSi/c1-21-11-13(10-19-21)17-15-6-5-14(18)9-16(15)22(20-17)12-23-7-8-24(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyTWSJKMBEJRUGED-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.51
Rot. Bonds6

About 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 66995153) has the molecular formula C17H23BrN4OSi and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID66995153
Molecular FormulaC17H23BrN4OSi
Molecular Weight407.39 g/mol
Exact Mass406.08
IUPAC Name2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)cn1
InChIInChI=1S/C17H23BrN4OSi/c1-21-11-13(10-19-21)17-15-6-5-14(18)9-16(15)22(20-17)12-23-7-8-24(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyTWSJKMBEJRUGED-UHFFFAOYSA-N
XLogP4.51
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 66995153) is 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)cn1.
What is the InChIKey of 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is TWSJKMBEJRUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4OSi/c1-21-11-13(10-19-21)17-15-6-5-14(18)9-16(15)22(20-17)12-23-7-8-24(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 407.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-3-(1-methylpyrazol-4-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66995153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).