trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C21H26F3N7OSi — CID 57478056

IUPACtrimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(Cc4ncc[nH]4)C(F)(F)F)c3)ncnc21
InChIInChI=1S/C21H26F3N7OSi/c1-33(2,3)9-8-32-14-30-7-4-16-19(27-13-28-20(16)30)15-11-29-31(12-15)17(21(22,23)24)10-18-25-5-6-26-18/h4-7,11-13,17H,8-10,14H2,1-3H3,(H,25,26)
InChIKeyIYZVDTRISODLQV-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.68
Rot. Bonds9

About trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 57478056) has the molecular formula C21H26F3N7OSi and a molecular weight of 477.57 g/mol. Its IUPAC name is trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
PubChem CID57478056
Molecular FormulaC21H26F3N7OSi
Molecular Weight477.57 g/mol
Exact Mass477.19
IUPAC Nametrimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(Cc4ncc[nH]4)C(F)(F)F)c3)ncnc21
InChIInChI=1S/C21H26F3N7OSi/c1-33(2,3)9-8-32-14-30-7-4-16-19(27-13-28-20(16)30)15-11-29-31(12-15)17(21(22,23)24)10-18-25-5-6-26-18/h4-7,11-13,17H,8-10,14H2,1-3H3,(H,25,26)
InChIKeyIYZVDTRISODLQV-UHFFFAOYSA-N
XLogP4.68
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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 trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 57478056) is trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(Cc4ncc[nH]4)C(F)(F)F)c3)ncnc21.
What is the InChIKey of trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The InChIKey is IYZVDTRISODLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7OSi/c1-33(2,3)9-8-32-14-30-7-4-16-19(27-13-28-20(16)30)15-11-29-31(12-15)17(21(22,23)24)10-18-25-5-6-26-18/h4-7,11-13,17H,8-10,14H2,1-3H3,(H,25,26).
What are the key properties of trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 477.57 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[1-[1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 57478056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).