ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate

C36H44N6O7Si — CID 69071589

IUPACethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(Cc2cc(C)c3nn(COCC[Si](C)(C)C)cc3c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)n1
InChIInChI=1S/C36H44N6O7Si/c1-6-47-35(44)32-38-34(49-40-32)30(19-24-17-23(2)31-27(18-24)21-42(39-31)22-46-15-16-50(3,4)5)48-36(45)41-13-11-25(12-14-41)28-20-26-9-7-8-10-29(26)37-33(28)43/h7-10,17-18,20-21,25,30H,6,11-16,19,22H2,1-5H3,(H,37,43)
InChIKeyKMIMHKJRAGOWRB-UHFFFAOYSA-N
MW700.87 g/mol
LogP6.36
Rot. Bonds12

About ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 69071589) has the molecular formula C36H44N6O7Si and a molecular weight of 700.87 g/mol. Its IUPAC name is ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID69071589
Molecular FormulaC36H44N6O7Si
Molecular Weight700.87 g/mol
Exact Mass700.30
IUPAC Nameethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(Cc2cc(C)c3nn(COCC[Si](C)(C)C)cc3c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)n1
InChIInChI=1S/C36H44N6O7Si/c1-6-47-35(44)32-38-34(49-40-32)30(19-24-17-23(2)31-27(18-24)21-42(39-31)22-46-15-16-50(3,4)5)48-36(45)41-13-11-25(12-14-41)28-20-26-9-7-8-10-29(26)37-33(28)43/h7-10,17-18,20-21,25,30H,6,11-16,19,22H2,1-5H3,(H,37,43)
InChIKeyKMIMHKJRAGOWRB-UHFFFAOYSA-N
XLogP6.36
TPSA154.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.87
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate (CID 69071589) is ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(Cc2cc(C)c3nn(COCC[Si](C)(C)C)cc3c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)n1.
What is the InChIKey of ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is KMIMHKJRAGOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O7Si/c1-6-47-35(44)32-38-34(49-40-32)30(19-24-17-23(2)31-27(18-24)21-42(39-31)22-46-15-16-50(3,4)5)48-36(45)41-13-11-25(12-14-41)28-20-26-9-7-8-10-29(26)37-33(28)43/h7-10,17-18,20-21,25,30H,6,11-16,19,22H2,1-5H3,(H,37,43).
What are the key properties of ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 700.87 g/mol, XLogP of 6.36, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 69071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).