2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane

C18H29FN4OSi — CID 58834743

IUPAC2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C18H29FN4OSi/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4/h11-12,20H,5-10,13H2,1-4H3
InChIKeyNEWQIMZQGNNXDI-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.21
Rot. Bonds6

About 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58834743) has the molecular formula C18H29FN4OSi and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58834743
Molecular FormulaC18H29FN4OSi
Molecular Weight364.54 g/mol
Exact Mass364.21
IUPAC Name2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C18H29FN4OSi/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4/h11-12,20H,5-10,13H2,1-4H3
InChIKeyNEWQIMZQGNNXDI-UHFFFAOYSA-N
XLogP3.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
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-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 58834743) is 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12.
What is the InChIKey of 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is NEWQIMZQGNNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4OSi/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4/h11-12,20H,5-10,13H2,1-4H3.
What are the key properties of 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 364.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58834743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).