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

C43H69FN6O6Si3 — CID 156776443

IUPACN-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CNC(=O)N4CCC(O)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H69FN6O6Si3/c1-11-32-25-40(56-31-55-20-23-59(8,9)10)38(44)26-37(32)33-12-13-36-39(24-33)50(30-54-19-22-58(5,6)7)47-41(36)42-46-34(28-49(42)29-53-18-21-57(2,3)4)27-45-43(52)48-16-14-35(51)15-17-48/h12-13,24-26,28,35,51H,11,14-23,27,29-31H2,1-10H3,(H,45,52)
InChIKeyNJJFNUPYDNPLAF-UHFFFAOYSA-N
MW869.32 g/mol
LogP9.25
Rot. Bonds21

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

N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 156776443) has the molecular formula C43H69FN6O6Si3 and a molecular weight of 869.32 g/mol. Its IUPAC name is N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID156776443
Molecular FormulaC43H69FN6O6Si3
Molecular Weight869.32 g/mol
Exact Mass868.46
IUPAC NameN-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CNC(=O)N4CCC(O)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C43H69FN6O6Si3/c1-11-32-25-40(56-31-55-20-23-59(8,9)10)38(44)26-37(32)33-12-13-36-39(24-33)50(30-54-19-22-58(5,6)7)47-41(36)42-46-34(28-49(42)29-53-18-21-57(2,3)4)27-45-43(52)48-16-14-35(51)15-17-48/h12-13,24-26,28,35,51H,11,14-23,27,29-31H2,1-10H3,(H,45,52)
InChIKeyNJJFNUPYDNPLAF-UHFFFAOYSA-N
XLogP9.25
TPSA125.13 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.32
LogP ≤ 59.25
H-Bond Donors ≤ 52
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 N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide (CID 156776443) is N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CNC(=O)N4CCC(O)CC4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is NJJFNUPYDNPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H69FN6O6Si3/c1-11-32-25-40(56-31-55-20-23-59(8,9)10)38(44)26-37(32)33-12-13-36-39(24-33)50(30-54-19-22-58(5,6)7)47-41(36)42-46-34(28-49(42)29-53-18-21-57(2,3)4)27-45-43(52)48-16-14-35(51)15-17-48/h12-13,24-26,28,35,51H,11,14-23,27,29-31H2,1-10H3,(H,45,52).
What are the key properties of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide?
N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 869.32 g/mol, XLogP of 9.25, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 156776443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).