methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

C26H36N2O4Si — CID 86690439

IUPACmethyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2OCC(C)C)c1
InChIInChI=1S/C26H36N2O4Si/c1-18(2)17-31-24-12-10-22(32-33(7,8)26(3,4)5)14-21(24)16-28-23-11-9-19(25(29)30-6)13-20(23)15-27-28/h9-15,18H,16-17H2,1-8H3
InChIKeyPEUXWMNFCTZRHO-UHFFFAOYSA-N
MW468.67 g/mol
LogP6.29
Rot. Bonds8

About methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (PubChem CID 86690439) has the molecular formula C26H36N2O4Si and a molecular weight of 468.67 g/mol. Its IUPAC name is methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
PubChem CID86690439
Molecular FormulaC26H36N2O4Si
Molecular Weight468.67 g/mol
Exact Mass468.24
IUPAC Namemethyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2OCC(C)C)c1
InChIInChI=1S/C26H36N2O4Si/c1-18(2)17-31-24-12-10-22(32-33(7,8)26(3,4)5)14-21(24)16-28-23-11-9-19(25(29)30-6)13-20(23)15-27-28/h9-15,18H,16-17H2,1-8H3
InChIKeyPEUXWMNFCTZRHO-UHFFFAOYSA-N
XLogP6.29
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.67
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690440
methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690423
1-[1-[[5-(2-fluoro-2-phosphanylethoxy)-2-(2-methylpropoxy)phenyl]methyl]indazol-5-yl]-2-hydroxyethanone
CID 137397611
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
CID 137397184
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 3-[2-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]-4-bromobenzoate
CID 140840729
1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
CID 147647708
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
methyl 1-chloroindazole-5-carboxylate
CID 175375288

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The IUPAC name of methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (CID 86690439) is methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The canonical SMILES for methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is COC(=O)c1ccc2c(cnn2Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2OCC(C)C)c1.
What is the InChIKey of methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The InChIKey is PEUXWMNFCTZRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4Si/c1-18(2)17-31-24-12-10-22(32-33(7,8)26(3,4)5)14-21(24)16-28-23-11-9-19(25(29)30-6)13-20(23)15-27-28/h9-15,18H,16-17H2,1-8H3.
What are the key properties of methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate has a molecular weight of 468.67 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is sourced from PubChem (CID 86690439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).