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

C22H26N4OSi — CID 146169698

IUPACtrimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(-n3cccn3)ccnc21
InChIInChI=1S/C22H26N4OSi/c1-28(2,3)15-14-27-17-25-16-19(18-8-5-4-6-9-18)21-20(10-12-23-22(21)25)26-13-7-11-24-26/h4-13,16H,14-15,17H2,1-3H3
InChIKeyCOGOOTDALKRFRC-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.20
Rot. Bonds7

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

trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane (PubChem CID 146169698) has the molecular formula C22H26N4OSi and a molecular weight of 390.56 g/mol. Its IUPAC name is trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
PubChem CID146169698
Molecular FormulaC22H26N4OSi
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Nametrimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(-n3cccn3)ccnc21
InChIInChI=1S/C22H26N4OSi/c1-28(2,3)15-14-27-17-25-16-19(18-8-5-4-6-9-18)21-20(10-12-23-22(21)25)26-13-7-11-24-26/h4-13,16H,14-15,17H2,1-3H3
InChIKeyCOGOOTDALKRFRC-UHFFFAOYSA-N
XLogP5.20
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.20
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-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane (CID 146169698) is trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(-n3cccn3)ccnc21.
What is the InChIKey of trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane?
The InChIKey is COGOOTDALKRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OSi/c1-28(2,3)15-14-27-17-25-16-19(18-8-5-4-6-9-18)21-20(10-12-23-22(21)25)26-13-7-11-24-26/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane has a molecular weight of 390.56 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(3-phenyl-4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 146169698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).