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

C26H36N4O4Si — CID 90400955

IUPACethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H36N4O4Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29/h6-9,16,18H,5,10-15,17,19H2,1-4H3
InChIKeyNXMDFHGOVGHBJW-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.35
Rot. Bonds10

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

ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate (PubChem CID 90400955) has the molecular formula C26H36N4O4Si and a molecular weight of 496.68 g/mol. Its IUPAC name is ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
PubChem CID90400955
Molecular FormulaC26H36N4O4Si
Molecular Weight496.68 g/mol
Exact Mass496.25
IUPAC Nameethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H36N4O4Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29/h6-9,16,18H,5,10-15,17,19H2,1-4H3
InChIKeyNXMDFHGOVGHBJW-UHFFFAOYSA-N
XLogP4.35
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate (CID 90400955) is ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate is CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate?
The InChIKey is NXMDFHGOVGHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29/h6-9,16,18H,5,10-15,17,19H2,1-4H3.
What are the key properties of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate?
ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate has a molecular weight of 496.68 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate is sourced from PubChem (CID 90400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).