2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol

C20H27BrN4O2Si — CID 123891448

IUPAC2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(NCCO)c2)c2cc(Br)ccc21
InChIInChI=1S/C20H27BrN4O2Si/c1-28(2,3)11-10-27-14-25-18-5-4-16(21)13-17(18)20(24-25)15-6-7-22-19(12-15)23-8-9-26/h4-7,12-13,26H,8-11,14H2,1-3H3,(H,22,23)
InChIKeyRZDUQRFIYJAOOP-UHFFFAOYSA-N
MW463.45 g/mol
LogP4.58
Rot. Bonds9

About 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol

2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol (PubChem CID 123891448) has the molecular formula C20H27BrN4O2Si and a molecular weight of 463.45 g/mol. Its IUPAC name is 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol
PubChem CID123891448
Molecular FormulaC20H27BrN4O2Si
Molecular Weight463.45 g/mol
Exact Mass462.11
IUPAC Name2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(NCCO)c2)c2cc(Br)ccc21
InChIInChI=1S/C20H27BrN4O2Si/c1-28(2,3)11-10-27-14-25-18-5-4-16(21)13-17(18)20(24-25)15-6-7-22-19(12-15)23-8-9-26/h4-7,12-13,26H,8-11,14H2,1-3H3,(H,22,23)
InChIKeyRZDUQRFIYJAOOP-UHFFFAOYSA-N
XLogP4.58
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol (CID 123891448) is 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol is C[Si](C)(C)CCOCn1nc(-c2ccnc(NCCO)c2)c2cc(Br)ccc21.
What is the InChIKey of 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is RZDUQRFIYJAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O2Si/c1-28(2,3)11-10-27-14-25-18-5-4-16(21)13-17(18)20(24-25)15-6-7-22-19(12-15)23-8-9-26/h4-7,12-13,26H,8-11,14H2,1-3H3,(H,22,23).
What are the key properties of 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol?
2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 463.45 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 123891448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).