2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane

C43H71FN6O4Si3 — CID 156776439

IUPAC2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCN(CC)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H71FN6O4Si3/c1-12-34-27-41(54-33-53-22-25-57(9,10)11)39(44)28-38(34)35-14-15-37-40(26-35)50(32-52-21-24-56(6,7)8)46-42(37)43-45-36(29-48-18-16-47(13-2)17-19-48)30-49(43)31-51-20-23-55(3,4)5/h14-15,26-28,30H,12-13,16-25,29,31-33H2,1-11H3
InChIKeyYKYPXRUKDDGUKR-UHFFFAOYSA-N
MW839.33 g/mol
LogP9.72
Rot. Bonds22

About 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane

2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 156776439) has the molecular formula C43H71FN6O4Si3 and a molecular weight of 839.33 g/mol. Its IUPAC name is 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane
PubChem CID156776439
Molecular FormulaC43H71FN6O4Si3
Molecular Weight839.33 g/mol
Exact Mass838.48
IUPAC Name2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCN(CC)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H71FN6O4Si3/c1-12-34-27-41(54-33-53-22-25-57(9,10)11)39(44)28-38(34)35-14-15-37-40(26-35)50(32-52-21-24-56(6,7)8)46-42(37)43-45-36(29-48-18-16-47(13-2)17-19-48)30-49(43)31-51-20-23-55(3,4)5/h14-15,26-28,30H,12-13,16-25,29,31-33H2,1-11H3
InChIKeyYKYPXRUKDDGUKR-UHFFFAOYSA-N
XLogP9.72
TPSA79.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.33
LogP ≤ 59.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane (CID 156776439) is 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN4CCN(CC)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is YKYPXRUKDDGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H71FN6O4Si3/c1-12-34-27-41(54-33-53-22-25-57(9,10)11)39(44)28-38(34)35-14-15-37-40(26-35)50(32-52-21-24-56(6,7)8)46-42(37)43-45-36(29-48-18-16-47(13-2)17-19-48)30-49(43)31-51-20-23-55(3,4)5/h14-15,26-28,30H,12-13,16-25,29,31-33H2,1-11H3.
What are the key properties of 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane?
2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 839.33 g/mol, XLogP of 9.72, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156776439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).