2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane

C23H28N4OSi — CID 68907276

IUPAC2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(c1cnn(Cc2ccccc2)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-22(20-9-11-24-23-21(20)10-12-25-23)19-15-26-27(17-19)16-18-7-5-4-6-8-18/h4-12,15,17,22H,13-14,16H2,1-3H3,(H,24,25)
InChIKeyIUKJSRPZJZTGCE-UHFFFAOYSA-N
MW404.59 g/mol
LogP5.25
Rot. Bonds8

About 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane

2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane (PubChem CID 68907276) has the molecular formula C23H28N4OSi and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane
PubChem CID68907276
Molecular FormulaC23H28N4OSi
Molecular Weight404.59 g/mol
Exact Mass404.20
IUPAC Name2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(c1cnn(Cc2ccccc2)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-22(20-9-11-24-23-21(20)10-12-25-23)19-15-26-27(17-19)16-18-7-5-4-6-8-18/h4-12,15,17,22H,13-14,16H2,1-3H3,(H,24,25)
InChIKeyIUKJSRPZJZTGCE-UHFFFAOYSA-N
XLogP5.25
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane (CID 68907276) is 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOC(c1cnn(Cc2ccccc2)c1)c1ccnc2[nH]ccc12.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is IUKJSRPZJZTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-22(20-9-11-24-23-21(20)10-12-25-23)19-15-26-27(17-19)16-18-7-5-4-6-8-18/h4-12,15,17,22H,13-14,16H2,1-3H3,(H,24,25).
What are the key properties of 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane?
2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 404.59 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68907276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).