2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C25H30FN5OSi — CID 69350053

IUPAC2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(C)cn3)c2)n1
InChIInChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3
InChIKeyXMNQSGVHFIBLMB-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.77
Rot. Bonds8

About 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69350053) has the molecular formula C25H30FN5OSi and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID69350053
Molecular FormulaC25H30FN5OSi
Molecular Weight463.63 g/mol
Exact Mass463.22
IUPAC Name2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(C)cn3)c2)n1
InChIInChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3
InChIKeyXMNQSGVHFIBLMB-UHFFFAOYSA-N
XLogP5.77
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69350053) is 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(C)cn3)c2)n1.
What is the InChIKey of 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XMNQSGVHFIBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3.
What are the key properties of 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 463.63 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69350053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).