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

C24H30F3N3O2Si — CID 22319562

IUPACN-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C24H30F3N3O2Si/c1-5-6-22(31)28-23-20-12-9-18(17-7-10-19(11-8-17)24(25,26)27)15-21(20)30(29-23)16-32-13-14-33(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,28,29,31)
InChIKeyUHTORTZGSKSREX-UHFFFAOYSA-N
MW477.60 g/mol
LogP6.77
Rot. Bonds9

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

N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 22319562) has the molecular formula C24H30F3N3O2Si and a molecular weight of 477.60 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID22319562
Molecular FormulaC24H30F3N3O2Si
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC NameN-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C24H30F3N3O2Si/c1-5-6-22(31)28-23-20-12-9-18(17-7-10-19(11-8-17)24(25,26)27)15-21(20)30(29-23)16-32-13-14-33(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,28,29,31)
InChIKeyUHTORTZGSKSREX-UHFFFAOYSA-N
XLogP6.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 56.77
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-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 22319562) is N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is UHTORTZGSKSREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2Si/c1-5-6-22(31)28-23-20-12-9-18(17-7-10-19(11-8-17)24(25,26)27)15-21(20)30(29-23)16-32-13-14-33(2,3)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,28,29,31).
What are the key properties of N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 477.60 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 22319562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).