About [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (PubChem CID 66599715) has the molecular formula C25H29F2N5O2Si
and a molecular weight of 497.62 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.
Molecular Properties
| Compound Name | [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol |
|---|
| PubChem CID | 66599715 |
|---|
| Molecular Formula | C25H29F2N5O2Si |
|---|
| Molecular Weight | 497.62 g/mol |
|---|
| Exact Mass | 497.21 |
|---|
| IUPAC Name | [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol |
|---|
| SMILES | Cn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1 |
|---|
| InChI | InChI=1S/C25H29F2N5O2Si/c1-31-15-18(13-30-31)22-14-29-25(32(22)16-34-10-11-35(2,3)4)24(33)17-8-9-28-21(12-17)23-19(26)6-5-7-20(23)27/h5-9,12-15,24,33H,10-11,16H2,1-4H3 |
|---|
| InChIKey | NPUOLTOTUGTPJQ-UHFFFAOYSA-N |
|---|
| XLogP | 5.02 |
|---|
| TPSA | 77.99 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 497.62 |
| LogP ≤ 5 | 5.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol 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-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The IUPAC name of [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (CID 66599715) is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The canonical SMILES for [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is Cn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1.
What is the InChIKey of [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The InChIKey is NPUOLTOTUGTPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2Si/c1-31-15-18(13-30-31)22-14-29-25(32(22)16-34-10-11-35(2,3)4)24(33)17-8-9-28-21(12-17)23-19(26)6-5-7-20(23)27/h5-9,12-15,24,33H,10-11,16H2,1-4H3.
What are the key properties of [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol has a molecular weight of 497.62 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 66599715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).