5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide

C26H39N5O4Si — CID 175222075

IUPAC5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cnn(COCC[Si](C)(C)C)c23)CC1
InChIInChI=1S/C26H39N5O4Si/c1-33-11-12-35-23-7-5-21(6-8-23)29-26(32)24-16-22(30-10-9-27-18-30)15-20-17-28-31(25(20)24)19-34-13-14-36(2,3)4/h9-10,15-18,21,23H,5-8,11-14,19H2,1-4H3,(H,29,32)
InChIKeyYLNFJWFNXSGJMO-UHFFFAOYSA-N
MW513.72 g/mol
LogP4.24
Rot. Bonds12

About 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide

5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide (PubChem CID 175222075) has the molecular formula C26H39N5O4Si and a molecular weight of 513.72 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
PubChem CID175222075
Molecular FormulaC26H39N5O4Si
Molecular Weight513.72 g/mol
Exact Mass513.28
IUPAC Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cnn(COCC[Si](C)(C)C)c23)CC1
InChIInChI=1S/C26H39N5O4Si/c1-33-11-12-35-23-7-5-21(6-8-23)29-26(32)24-16-22(30-10-9-27-18-30)15-20-17-28-31(25(20)24)19-34-13-14-36(2,3)4/h9-10,15-18,21,23H,5-8,11-14,19H2,1-4H3,(H,29,32)
InChIKeyYLNFJWFNXSGJMO-UHFFFAOYSA-N
XLogP4.24
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
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 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide (CID 175222075) is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cnn(COCC[Si](C)(C)C)c23)CC1.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide?
The InChIKey is YLNFJWFNXSGJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4Si/c1-33-11-12-35-23-7-5-21(6-8-23)29-26(32)24-16-22(30-10-9-27-18-30)15-20-17-28-31(25(20)24)19-34-13-14-36(2,3)4/h9-10,15-18,21,23H,5-8,11-14,19H2,1-4H3,(H,29,32).
What are the key properties of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide?
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide has a molecular weight of 513.72 g/mol, XLogP of 4.24, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide is sourced from PubChem (CID 175222075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).