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

C17H25F2N3O2Si — CID 10248536

IUPACN-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)ccc12
InChIInChI=1S/C17H25F2N3O2Si/c1-5-6-14(23)20-17-12-7-8-13(18)15(19)16(12)22(21-17)11-24-9-10-25(2,3)4/h7-8H,5-6,9-11H2,1-4H3,(H,20,21,23)
InChIKeyXWVSKNXUROZXMZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.37
Rot. Bonds8

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

N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 10248536) has the molecular formula C17H25F2N3O2Si and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID10248536
Molecular FormulaC17H25F2N3O2Si
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)ccc12
InChIInChI=1S/C17H25F2N3O2Si/c1-5-6-14(23)20-17-12-7-8-13(18)15(19)16(12)22(21-17)11-24-9-10-25(2,3)4/h7-8H,5-6,9-11H2,1-4H3,(H,20,21,23)
InChIKeyXWVSKNXUROZXMZ-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.37
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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Related Compounds

N-(6,7-difluoro-1H-indazol-3-yl)butanamide
CID 11776377
N-(4-fluoro-1-methyl-1H-indazol-3-yl)-2,2-dimethylpropanamide
CID 2742964
N-[1-[(4-fluorophenyl)methyl]-7-methylindazol-3-yl]propanamide
CID 177693222
N-[1-[(4-fluorophenyl)methyl]-7-methylindazol-3-yl]prop-2-enamide
CID 177693223
N-[1-[(4-fluorophenyl)methyl]-7-methylindazol-3-yl]propanamide
CID 177693221
N-(4-fluoro-1-methylindazol-3-yl)propanamide
CID 2742974
N-[6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 10026554
N-[6-(3,5-difluorophenyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 10072215
1-[6,7-Difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea
CID 10074475
N-(5-bromo-6,7-difluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl)butanamide
CID 10095181
N-[6-[4-(trifluoromethyl)phenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 22319562
N-[6-(4-fluorophenyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 22319639

Frequently Asked Questions

What is the IUPAC name of N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 10248536) is N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2c(F)c(F)ccc12.
What is the InChIKey of N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is XWVSKNXUROZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2Si/c1-5-6-14(23)20-17-12-7-8-13(18)15(19)16(12)22(21-17)11-24-9-10-25(2,3)4/h7-8H,5-6,9-11H2,1-4H3,(H,20,21,23).
What are the key properties of N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 369.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-difluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 10248536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).