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

C24H30F2N4O2Si — CID 86593374

IUPACN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(NC(=O)N2CCCC2)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C24H30F2N4O2Si/c1-33(2,3)14-13-32-16-30-22-19(23(28-30)27-24(31)29-11-7-8-12-29)15-18(20(25)21(22)26)17-9-5-4-6-10-17/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,27,28,31)
InChIKeyCBJBYMVEYUJAOZ-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.92
Rot. Bonds7

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

N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 86593374) has the molecular formula C24H30F2N4O2Si and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID86593374
Molecular FormulaC24H30F2N4O2Si
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(NC(=O)N2CCCC2)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C24H30F2N4O2Si/c1-33(2,3)14-13-32-16-30-22-19(23(28-30)27-24(31)29-11-7-8-12-29)15-18(20(25)21(22)26)17-9-5-4-6-10-17/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,27,28,31)
InChIKeyCBJBYMVEYUJAOZ-UHFFFAOYSA-N
XLogP5.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.92
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

Piperidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1H-indazol-3-yl)amide
CID 9841627
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
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
ethyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]indazole-1-carboxylate
CID 58926859
Pyrrolidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1H-indazol-3-yl)-amide
CID 67367298
piperidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)-ethoxy]methyl]-1H-indazol-3-yl)amide
CID 86593373
1-[[4-Fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea
CID 91580750

Frequently Asked Questions

What is the IUPAC name of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide (CID 86593374) is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide is C[Si](C)(C)CCOCn1nc(NC(=O)N2CCCC2)c2cc(-c3ccccc3)c(F)c(F)c21.
What is the InChIKey of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is CBJBYMVEYUJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O2Si/c1-33(2,3)14-13-32-16-30-22-19(23(28-30)27-24(31)29-11-7-8-12-29)15-18(20(25)21(22)26)17-9-5-4-6-10-17/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,27,28,31).
What are the key properties of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide?
N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 5.92, 7 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86593374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).