2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C21H28F3N7OSi — CID 158472496

IUPAC2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCC[Si](C)(C)C.FC(F)(F)C(Cc1ncc[nH]1)n1cc(-c2ncnc3[nH]ccc23)cn1
InChIInChI=1S/C15H12F3N7.C6H16OSi/c16-15(17,18)11(5-12-19-3-4-20-12)25-7-9(6-24-25)13-10-1-2-21-14(10)23-8-22-13;1-7-5-6-8(2,3)4/h1-4,6-8,11H,5H2,(H,19,20)(H,21,22,23);5-6H2,1-4H3
InChIKeyHGNGINDUAXMZFE-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.86
Rot. Bonds7

About 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158472496) has the molecular formula C21H28F3N7OSi and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID158472496
Molecular FormulaC21H28F3N7OSi
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Name2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCC[Si](C)(C)C.FC(F)(F)C(Cc1ncc[nH]1)n1cc(-c2ncnc3[nH]ccc23)cn1
InChIInChI=1S/C15H12F3N7.C6H16OSi/c16-15(17,18)11(5-12-19-3-4-20-12)25-7-9(6-24-25)13-10-1-2-21-14(10)23-8-22-13;1-7-5-6-8(2,3)4/h1-4,6-8,11H,5H2,(H,19,20)(H,21,22,23);5-6H2,1-4H3
InChIKeyHGNGINDUAXMZFE-UHFFFAOYSA-N
XLogP4.86
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
US20230339900, Example 20
CID 162761031
5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 90292741
N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146596268
3-(2-ethoxypyrimidin-5-yl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646134
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53262572
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53262625
3-[4-[4-(2-Pyrazol-1-ylethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile
CID 53341057
3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 68353938
2-(2,6-Difluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71603408
3-[1-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71818564
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71818565

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 158472496) is 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is COCC[Si](C)(C)C.FC(F)(F)C(Cc1ncc[nH]1)n1cc(-c2ncnc3[nH]ccc23)cn1.
What is the InChIKey of 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HGNGINDUAXMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7.C6H16OSi/c16-15(17,18)11(5-12-19-3-4-20-12)25-7-9(6-24-25)13-10-1-2-21-14(10)23-8-22-13;1-7-5-6-8(2,3)4/h1-4,6-8,11H,5H2,(H,19,20)(H,21,22,23);5-6H2,1-4H3.
What are the key properties of 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 479.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)silane;4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158472496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).