N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine

C29H45F3N6O2Si2 — CID 69036790

IUPACN-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(C=Cc2cn(COCC[Si](C)(C)C)nc2-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C29H45F3N6O2Si2/c1-8-33-17-24-15-23(16-34-18-24)9-10-25-19-38(22-40-12-14-42(5,6)7)36-27(25)28-35-26(29(30,31)32)20-37(28)21-39-11-13-41(2,3)4/h9-10,15-16,18-20,33H,8,11-14,17,21-22H2,1-7H3
InChIKeyHDFYFQWWFRLPIN-UHFFFAOYSA-N
MW622.89 g/mol
LogP7.06
Rot. Bonds16

About N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine

N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine (PubChem CID 69036790) has the molecular formula C29H45F3N6O2Si2 and a molecular weight of 622.89 g/mol. Its IUPAC name is N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
PubChem CID69036790
Molecular FormulaC29H45F3N6O2Si2
Molecular Weight622.89 g/mol
Exact Mass622.31
IUPAC NameN-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(C=Cc2cn(COCC[Si](C)(C)C)nc2-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C29H45F3N6O2Si2/c1-8-33-17-24-15-23(16-34-18-24)9-10-25-19-38(22-40-12-14-42(5,6)7)36-27(25)28-35-26(29(30,31)32)20-37(28)21-39-11-13-41(2,3)4/h9-10,15-16,18-20,33H,8,11-14,17,21-22H2,1-7H3
InChIKeyHDFYFQWWFRLPIN-UHFFFAOYSA-N
XLogP7.06
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.89
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine (CID 69036790) is N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(C=Cc2cn(COCC[Si](C)(C)C)nc2-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c1.
What is the InChIKey of N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HDFYFQWWFRLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45F3N6O2Si2/c1-8-33-17-24-15-23(16-34-18-24)9-10-25-19-38(22-40-12-14-42(5,6)7)36-27(25)28-35-26(29(30,31)32)20-37(28)21-39-11-13-41(2,3)4/h9-10,15-16,18-20,33H,8,11-14,17,21-22H2,1-7H3.
What are the key properties of N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 622.89 g/mol, XLogP of 7.06, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 69036790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).