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

C42H52F4N6O3Si2 — CID 159008844

IUPAC6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[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.C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C23H29F2N3O2Si.C19H23F2N3OSi/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;1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29);4-8,11H,9-10,12H2,1-3H3,(H2,22,23)
InChIKeyJSGISZCYCLUJLZ-UHFFFAOYSA-N
MW821.08 g/mol
LogP10.91
Rot. Bonds15

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

6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 159008844) has the molecular formula C42H52F4N6O3Si2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound Name6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID159008844
Molecular FormulaC42H52F4N6O3Si2
Molecular Weight821.08 g/mol
Exact Mass820.36
IUPAC Name6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[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.C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C23H29F2N3O2Si.C19H23F2N3OSi/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;1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29);4-8,11H,9-10,12H2,1-3H3,(H2,22,23)
InChIKeyJSGISZCYCLUJLZ-UHFFFAOYSA-N
XLogP10.91
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[6,7-Difluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1h-indazol-3-yl]butanamide
CID 10248536
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
piperidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)-ethoxy]methyl]-1H-indazol-3-yl)amide
CID 86593373
pyrrolidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl)amide
CID 86593374
[2-[Butanoyl-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]amino]phenyl]boronic acid
CID 149979014
(Z)-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-4-[1-[(4-fluorophenyl)methyl]-3-[[(Z)-3-(methylideneamino)-2-methylsulfanylbut-2-enoyl]amino]indazol-5-yl]-2,5-diiminopent-3-enamide
CID 173692344
N-[6-[4-(dimethylamino)phenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 22319554
N-[6-(4-ethylphenyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide
CID 22319583

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 159008844) is 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;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.C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is JSGISZCYCLUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2Si.C19H23F2N3OSi/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;1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3,(H,26,27,29);4-8,11H,9-10,12H2,1-3H3,(H2,22,23).
What are the key properties of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 821.08 g/mol, XLogP of 10.91, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 159008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).