trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C24H28N4OSi — CID 57477674

IUPACtrimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC=C(c1ccccc1)c1cnn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H28N4OSi/c1-19(20-8-6-5-7-9-20)21-16-26-28(17-21)23-10-12-25-24-22(23)11-13-27(24)18-29-14-15-30(2,3)4/h5-13,16-17H,1,14-15,18H2,2-4H3
InChIKeyUAMMIEJAUWEULC-UHFFFAOYSA-N
MW416.60 g/mol
LogP5.60
Rot. Bonds8

About trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 57477674) has the molecular formula C24H28N4OSi and a molecular weight of 416.60 g/mol. Its IUPAC name is trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID57477674
Molecular FormulaC24H28N4OSi
Molecular Weight416.60 g/mol
Exact Mass416.20
IUPAC Nametrimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC=C(c1ccccc1)c1cnn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H28N4OSi/c1-19(20-8-6-5-7-9-20)21-16-26-28(17-21)23-10-12-25-24-22(23)11-13-27(24)18-29-14-15-30(2,3)4/h5-13,16-17H,1,14-15,18H2,2-4H3
InChIKeyUAMMIEJAUWEULC-UHFFFAOYSA-N
XLogP5.60
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 55.60
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 57477674) is trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is C=C(c1ccccc1)c1cnn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)c1.
What is the InChIKey of trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is UAMMIEJAUWEULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OSi/c1-19(20-8-6-5-7-9-20)21-16-26-28(17-21)23-10-12-25-24-22(23)11-13-27(24)18-29-14-15-30(2,3)4/h5-13,16-17H,1,14-15,18H2,2-4H3.
What are the key properties of trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 416.60 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[4-(1-phenylethenyl)pyrazol-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 57477674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).