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

C25H29F2N5O2Si — CID 66599715

IUPAC[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESCn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1
InChIInChI=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
InChIKeyNPUOLTOTUGTPJQ-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.02
Rot. Bonds9

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 CID66599715
Molecular FormulaC25H29F2N5O2Si
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name[2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESCn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1
InChIInChI=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
InChIKeyNPUOLTOTUGTPJQ-UHFFFAOYSA-N
XLogP5.02
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.02
H-Bond Donors ≤ 51
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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Related Compounds

ethyl 2-methyl-3-[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzoate
CID 171635989
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 175454411
4-fluoro-3-[[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonyl]amino]benzoic acid
CID 170634931
2-[[5-(4-ethenyl-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850928
2-methyl-3-[3-methyl-2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzoic acid
CID 171635220
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]benzaldehyde
CID 140850927
2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398408
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate
CID 46917856
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151

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).