[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

C25H27F2N5O2Si — CID 66599747

IUPAC[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESCn1cc(-c2cnc(C(=O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C25H27F2N5O2Si/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/h5-9,12-15H,10-11,16H2,1-4H3
InChIKeyAZFMIDGRKPUGDL-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.17
Rot. Bonds9

About [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (PubChem CID 66599747) has the molecular formula C25H27F2N5O2Si and a molecular weight of 495.61 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
PubChem CID66599747
Molecular FormulaC25H27F2N5O2Si
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESCn1cc(-c2cnc(C(=O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C25H27F2N5O2Si/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/h5-9,12-15H,10-11,16H2,1-4H3
InChIKeyAZFMIDGRKPUGDL-UHFFFAOYSA-N
XLogP5.17
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The IUPAC name of [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (CID 66599747) is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.
What is the SMILES notation for [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The canonical SMILES for [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone 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]methanone?
The InChIKey is AZFMIDGRKPUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2Si/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/h5-9,12-15H,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]methanone?
[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone has a molecular weight of 495.61 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 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]methanone is sourced from PubChem (CID 66599747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).