methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate

C30H35FN2O3Si — CID 138975748

IUPACmethyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(CCCC(CF)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc12
InChIInChI=1S/C30H35FN2O3Si/c1-30(2,3)37(24-15-7-5-8-16-24,25-17-9-6-10-18-25)36-23(22-31)14-13-21-33-27-20-12-11-19-26(27)28(32-33)29(34)35-4/h5-12,15-20,23H,13-14,21-22H2,1-4H3
InChIKeyCFLHPMUWTHUFGI-UHFFFAOYSA-N
MW518.71 g/mol
LogP5.52
Rot. Bonds10

About methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate

methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate (PubChem CID 138975748) has the molecular formula C30H35FN2O3Si and a molecular weight of 518.71 g/mol. Its IUPAC name is methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate
PubChem CID138975748
Molecular FormulaC30H35FN2O3Si
Molecular Weight518.71 g/mol
Exact Mass518.24
IUPAC Namemethyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(CCCC(CF)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc12
InChIInChI=1S/C30H35FN2O3Si/c1-30(2,3)37(24-15-7-5-8-16-24,25-17-9-6-10-18-25)36-23(22-31)14-13-21-33-27-20-12-11-19-26(27)28(32-33)29(34)35-4/h5-12,15-20,23H,13-14,21-22H2,1-4H3
InChIKeyCFLHPMUWTHUFGI-UHFFFAOYSA-N
XLogP5.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate?
The IUPAC name of methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate (CID 138975748) is methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate?
The canonical SMILES for methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate is COC(=O)c1nn(CCCC(CF)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc12.
What is the InChIKey of methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate?
The InChIKey is CFLHPMUWTHUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O3Si/c1-30(2,3)37(24-15-7-5-8-16-24,25-17-9-6-10-18-25)36-23(22-31)14-13-21-33-27-20-12-11-19-26(27)28(32-33)29(34)35-4/h5-12,15-20,23H,13-14,21-22H2,1-4H3.
What are the key properties of methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate?
methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate has a molecular weight of 518.71 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentyl]indazole-3-carboxylate is sourced from PubChem (CID 138975748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).