2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

C43H64FN7O4Si3 — CID 155665194

IUPAC2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(Cc3cnccn3)C4)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H64FN7O4Si3/c1-11-32-23-41(55-31-54-18-21-58(8,9)10)37(44)24-36(32)33-12-13-35-39(22-33)51(30-53-17-20-57(5,6)7)48-42(35)43-47-38-27-49(26-34-25-45-14-15-46-34)28-40(38)50(43)29-52-16-19-56(2,3)4/h12-15,22-25H,11,16-21,26-31H2,1-10H3
InChIKeyAIKQSVZBDCSTQP-UHFFFAOYSA-N
MW846.29 g/mol
LogP9.89
Rot. Bonds21

About 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 155665194) has the molecular formula C43H64FN7O4Si3 and a molecular weight of 846.29 g/mol. Its IUPAC name is 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
PubChem CID155665194
Molecular FormulaC43H64FN7O4Si3
Molecular Weight846.29 g/mol
Exact Mass845.43
IUPAC Name2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(Cc3cnccn3)C4)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H64FN7O4Si3/c1-11-32-23-41(55-31-54-18-21-58(8,9)10)37(44)24-36(32)33-12-13-35-39(22-33)51(30-53-17-20-57(5,6)7)48-42(35)43-47-38-27-49(26-34-25-45-14-15-46-34)28-40(38)50(43)29-52-16-19-56(2,3)4/h12-15,22-25H,11,16-21,26-31H2,1-10H3
InChIKeyAIKQSVZBDCSTQP-UHFFFAOYSA-N
XLogP9.89
TPSA101.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.29
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (CID 155665194) is 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(Cc3cnccn3)C4)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is AIKQSVZBDCSTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64FN7O4Si3/c1-11-32-23-41(55-31-54-18-21-58(8,9)10)37(44)24-36(32)33-12-13-35-39(22-33)51(30-53-17-20-57(5,6)7)48-42(35)43-47-38-27-49(26-34-25-45-14-15-46-34)28-40(38)50(43)29-52-16-19-56(2,3)4/h12-15,22-25H,11,16-21,26-31H2,1-10H3.
What are the key properties of 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 846.29 g/mol, XLogP of 9.89, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155665194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).