N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

C23H29F2N3O2Si — CID 10026554

IUPACN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C23H29F2N3O2Si/c1-5-9-19(29)26-23-18-14-17(16-10-7-6-8-11-16)20(24)21(25)22(18)28(27-23)15-30-12-13-31(2,3)4/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29)
InChIKeyLXRBHYUNGXVGLB-UHFFFAOYSA-N
MW445.59 g/mol
LogP6.03
Rot. Bonds9

About N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 10026554) has the molecular formula C23H29F2N3O2Si and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID10026554
Molecular FormulaC23H29F2N3O2Si
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C23H29F2N3O2Si/c1-5-9-19(29)26-23-18-14-17(16-10-7-6-8-11-16)20(24)21(25)22(18)28(27-23)15-30-12-13-31(2,3)4/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29)
InChIKeyLXRBHYUNGXVGLB-UHFFFAOYSA-N
XLogP6.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.03
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-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 10026554) is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)c(-c3ccccc3)cc12.
What is the InChIKey of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is LXRBHYUNGXVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2Si/c1-5-9-19(29)26-23-18-14-17(16-10-7-6-8-11-16)20(24)21(25)22(18)28(27-23)15-30-12-13-31(2,3)4/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29).
What are the key properties of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 445.59 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 10026554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).