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

C26H28F2N4O2Si — CID 10074475

IUPAC1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea
SMILESC[Si](C)(C)CCOCn1nc(NC(=O)Nc2ccccc2)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C26H28F2N4O2Si/c1-35(2,3)15-14-34-17-32-24-21(16-20(22(27)23(24)28)18-10-6-4-7-11-18)25(31-32)30-26(33)29-19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H2,29,30,31,33)
InChIKeyLCUAIJVCGLCVRV-UHFFFAOYSA-N
MW494.62 g/mol
LogP6.94
Rot. Bonds8

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

1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea (PubChem CID 10074475) has the molecular formula C26H28F2N4O2Si and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea
PubChem CID10074475
Molecular FormulaC26H28F2N4O2Si
Molecular Weight494.62 g/mol
Exact Mass494.19
IUPAC Name1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea
SMILESC[Si](C)(C)CCOCn1nc(NC(=O)Nc2ccccc2)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C26H28F2N4O2Si/c1-35(2,3)15-14-34-17-32-24-21(16-20(22(27)23(24)28)18-10-6-4-7-11-18)25(31-32)30-26(33)29-19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H2,29,30,31,33)
InChIKeyLCUAIJVCGLCVRV-UHFFFAOYSA-N
XLogP6.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.94
H-Bond Donors ≤ 52
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-[4-(3-amino-1-methyl-1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 11176194
N-{4-[3-amino-1-(2-hydroxyethyl)-1H-indazol-4-yl]phenyl}-N''-(3-methylphenyl)urea
CID 11452379
N-{4-[3-amino-1-(2-methoxyethyl)-1H-indazol-4-yl]phenyl}-N''-(2-fluoro-5-methylphenyl)urea
CID 16125303
1-(4-(3-amino-1-(2-methoxyethoxy)-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 44420785
N-(2,4-difluorophenyl)-N'-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]urea
CID 2812686
1-[4-(3-Amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11338257
1-[4-[3-(Dimethylamino)-1-methylindazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 16125041
N-{1-methyl-4-[4-(3-methylphenylureido)phenyl]-1H-indazol-3-yl}acetamide
CID 16125513
1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea
CID 177381914
1-(2-Methylphenyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]urea
CID 132462346
6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole-3-amine
CID 9976768
N-[6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 10026554

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea?
The IUPAC name of 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea (CID 10074475) is 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea is C[Si](C)(C)CCOCn1nc(NC(=O)Nc2ccccc2)c2cc(-c3ccccc3)c(F)c(F)c21.
What is the InChIKey of 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea?
The InChIKey is LCUAIJVCGLCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2Si/c1-35(2,3)15-14-34-17-32-24-21(16-20(22(27)23(24)28)18-10-6-4-7-11-18)25(31-32)30-26(33)29-19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H2,29,30,31,33).
What are the key properties of 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea?
1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea has a molecular weight of 494.62 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-phenylurea is sourced from PubChem (CID 10074475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).