N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

C23H30FN3O2Si — CID 22319639

IUPACN-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C23H30FN3O2Si/c1-5-6-22(28)25-23-20-12-9-18(17-7-10-19(24)11-8-17)15-21(20)27(26-23)16-29-13-14-30(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,25,26,28)
InChIKeyDTVHTCBPPIKUOA-UHFFFAOYSA-N
MW427.60 g/mol
LogP5.89
Rot. Bonds9

About N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 22319639) has the molecular formula C23H30FN3O2Si and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID22319639
Molecular FormulaC23H30FN3O2Si
Molecular Weight427.60 g/mol
Exact Mass427.21
IUPAC NameN-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C23H30FN3O2Si/c1-5-6-22(28)25-23-20-12-9-18(17-7-10-19(24)11-8-17)15-21(20)27(26-23)16-29-13-14-30(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,25,26,28)
InChIKeyDTVHTCBPPIKUOA-UHFFFAOYSA-N
XLogP5.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 22319639) is N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is DTVHTCBPPIKUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2Si/c1-5-6-22(28)25-23-20-12-9-18(17-7-10-19(24)11-8-17)15-21(20)27(26-23)16-29-13-14-30(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,25,26,28).
What are the key properties of N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 427.60 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 22319639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).