1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol

C21H26ClN5O2Si — CID 87523960

IUPAC1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESCC(O)(c1ccc2nn(COCC[Si](C)(C)C)cc2c1)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C21H26ClN5O2Si/c1-21(28,18-12-23-20-8-7-19(22)25-27(18)20)16-5-6-17-15(11-16)13-26(24-17)14-29-9-10-30(2,3)4/h5-8,11-13,28H,9-10,14H2,1-4H3
InChIKeyLEGVHQLTFKJTPM-UHFFFAOYSA-N
MW444.01 g/mol
LogP4.30
Rot. Bonds7

About 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol

1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (PubChem CID 87523960) has the molecular formula C21H26ClN5O2Si and a molecular weight of 444.01 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
PubChem CID87523960
Molecular FormulaC21H26ClN5O2Si
Molecular Weight444.01 g/mol
Exact Mass443.15
IUPAC Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESCC(O)(c1ccc2nn(COCC[Si](C)(C)C)cc2c1)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C21H26ClN5O2Si/c1-21(28,18-12-23-20-8-7-19(22)25-27(18)20)16-5-6-17-15(11-16)13-26(24-17)14-29-9-10-30(2,3)4/h5-8,11-13,28H,9-10,14H2,1-4H3
InChIKeyLEGVHQLTFKJTPM-UHFFFAOYSA-N
XLogP4.30
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (CID 87523960) is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The canonical SMILES for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is CC(O)(c1ccc2nn(COCC[Si](C)(C)C)cc2c1)c1cnc2ccc(Cl)nn12.
What is the InChIKey of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The InChIKey is LEGVHQLTFKJTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2Si/c1-21(28,18-12-23-20-8-7-19(22)25-27(18)20)16-5-6-17-15(11-16)13-26(24-17)14-29-9-10-30(2,3)4/h5-8,11-13,28H,9-10,14H2,1-4H3.
What are the key properties of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol has a molecular weight of 444.01 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is sourced from PubChem (CID 87523960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).