1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile

C42H65FN6O4Si3 — CID 156776433

IUPAC1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCC(C#N)C4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C42H65FN6O4Si3/c1-11-33-23-40(53-31-52-18-21-56(8,9)10)38(43)24-37(33)34-12-13-36-39(22-34)49(30-51-17-20-55(5,6)7)46-41(36)42-45-35(27-47-15-14-32(25-44)26-47)28-48(42)29-50-16-19-54(2,3)4/h12-13,22-24,28,32H,11,14-21,26-27,29-31H2,1-10H3
InChIKeyBGCZCMJTXPUPBJ-UHFFFAOYSA-N
MW821.28 g/mol
LogP9.93
Rot. Bonds21

About 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile

1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile (PubChem CID 156776433) has the molecular formula C42H65FN6O4Si3 and a molecular weight of 821.28 g/mol. Its IUPAC name is 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile
PubChem CID156776433
Molecular FormulaC42H65FN6O4Si3
Molecular Weight821.28 g/mol
Exact Mass820.44
IUPAC Name1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCC(C#N)C4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C42H65FN6O4Si3/c1-11-33-23-40(53-31-52-18-21-56(8,9)10)38(43)24-37(33)34-12-13-36-39(22-34)49(30-51-17-20-55(5,6)7)46-41(36)42-45-35(27-47-15-14-32(25-44)26-47)28-48(42)29-50-16-19-54(2,3)4/h12-13,22-24,28,32H,11,14-21,26-27,29-31H2,1-10H3
InChIKeyBGCZCMJTXPUPBJ-UHFFFAOYSA-N
XLogP9.93
TPSA99.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.28
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile (CID 156776433) is 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCC(C#N)C4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile?
The InChIKey is BGCZCMJTXPUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H65FN6O4Si3/c1-11-33-23-40(53-31-52-18-21-56(8,9)10)38(43)24-37(33)34-12-13-36-39(22-34)49(30-51-17-20-55(5,6)7)46-41(36)42-45-35(27-47-15-14-32(25-44)26-47)28-48(42)29-50-16-19-54(2,3)4/h12-13,22-24,28,32H,11,14-21,26-27,29-31H2,1-10H3.
What are the key properties of 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile?
1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile has a molecular weight of 821.28 g/mol, XLogP of 9.93, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 156776433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).