2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C27H29F2N3O2Si — CID 166474294

IUPAC2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(-c2ccc(OCc3ccccc3)c(F)c2F)c1-c1ccccn1
InChIInChI=1S/C27H29F2N3O2Si/c1-35(2,3)16-15-33-19-32-27(23-11-7-8-14-30-23)22(17-31-32)21-12-13-24(26(29)25(21)28)34-18-20-9-5-4-6-10-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyCINRKCWBSSGYBO-UHFFFAOYSA-N
MW493.63 g/mol
LogP6.78
Rot. Bonds10

About 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 166474294) has the molecular formula C27H29F2N3O2Si and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID166474294
Molecular FormulaC27H29F2N3O2Si
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(-c2ccc(OCc3ccccc3)c(F)c2F)c1-c1ccccn1
InChIInChI=1S/C27H29F2N3O2Si/c1-35(2,3)16-15-33-19-32-27(23-11-7-8-14-30-23)22(17-31-32)21-12-13-24(26(29)25(21)28)34-18-20-9-5-4-6-10-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyCINRKCWBSSGYBO-UHFFFAOYSA-N
XLogP6.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 166474294) is 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc(-c2ccc(OCc3ccccc3)c(F)c2F)c1-c1ccccn1.
What is the InChIKey of 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CINRKCWBSSGYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2Si/c1-35(2,3)16-15-33-19-32-27(23-11-7-8-14-30-23)22(17-31-32)21-12-13-24(26(29)25(21)28)34-18-20-9-5-4-6-10-20/h4-14,17H,15-16,18-19H2,1-3H3.
What are the key properties of 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 493.63 g/mol, XLogP of 6.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-difluoro-4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 166474294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).