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

C24H34N4O3Si — CID 90400957

IUPAC2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21
InChIInChI=1S/C24H34N4O3Si/c1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27/h4-6,8,16-17,29H,7,9-15,18H2,1-3H3
InChIKeyRDMXGAFLKZFBLJ-UHFFFAOYSA-N
MW454.65 g/mol
LogP3.78
Rot. Bonds9

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

2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (PubChem CID 90400957) has the molecular formula C24H34N4O3Si and a molecular weight of 454.65 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
PubChem CID90400957
Molecular FormulaC24H34N4O3Si
Molecular Weight454.65 g/mol
Exact Mass454.24
IUPAC Name2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21
InChIInChI=1S/C24H34N4O3Si/c1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27/h4-6,8,16-17,29H,7,9-15,18H2,1-3H3
InChIKeyRDMXGAFLKZFBLJ-UHFFFAOYSA-N
XLogP3.78
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 53.78
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 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The IUPAC name of 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (CID 90400957) is 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21.
What is the InChIKey of 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The InChIKey is RDMXGAFLKZFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3Si/c1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27/h4-6,8,16-17,29H,7,9-15,18H2,1-3H3.
What are the key properties of 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol has a molecular weight of 454.65 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is sourced from PubChem (CID 90400957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).