trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane

C21H25N5OSi — CID 123407707

IUPACtrimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1cnc(-c2ccc(-c3cnn4cccnc34)cc2)[nH]1
InChIInChI=1S/C21H25N5OSi/c1-28(2,3)12-11-27-15-18-13-23-20(25-18)17-7-5-16(6-8-17)19-14-24-26-10-4-9-22-21(19)26/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,25)
InChIKeyCAKNYVNCQBCUPS-UHFFFAOYSA-N
MW391.55 g/mol
LogP4.64
Rot. Bonds7

About trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane (PubChem CID 123407707) has the molecular formula C21H25N5OSi and a molecular weight of 391.55 g/mol. Its IUPAC name is trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane
PubChem CID123407707
Molecular FormulaC21H25N5OSi
Molecular Weight391.55 g/mol
Exact Mass391.18
IUPAC Nametrimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1cnc(-c2ccc(-c3cnn4cccnc34)cc2)[nH]1
InChIInChI=1S/C21H25N5OSi/c1-28(2,3)12-11-27-15-18-13-23-20(25-18)17-7-5-16(6-8-17)19-14-24-26-10-4-9-22-21(19)26/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,25)
InChIKeyCAKNYVNCQBCUPS-UHFFFAOYSA-N
XLogP4.64
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]methanol
CID 70088633
1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
CID 166374640
5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
CID 87599786
(3aS,7aS)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 67034664
4-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine
CID 126667109
3-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 122400853
(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
CID 137472254
trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
CID 126424904
3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 174231173
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine
CID 167863871

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane (CID 123407707) is trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCc1cnc(-c2ccc(-c3cnn4cccnc34)cc2)[nH]1.
What is the InChIKey of trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The InChIKey is CAKNYVNCQBCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OSi/c1-28(2,3)12-11-27-15-18-13-23-20(25-18)17-7-5-16(6-8-17)19-14-24-26-10-4-9-22-21(19)26/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,25).
What are the key properties of trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane has a molecular weight of 391.55 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123407707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).