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

C22H26N4OSi — CID 57477679

IUPACtrimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc21
InChIInChI=1S/C22H26N4OSi/c1-28(2,3)14-13-27-17-25-12-10-21-20(9-11-23-22(21)25)18-15-24-26(16-18)19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyUKRCLLYFHCNUFN-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.20
Rot. Bonds7

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

trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 57477679) has the molecular formula C22H26N4OSi and a molecular weight of 390.56 g/mol. Its IUPAC name is trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID57477679
Molecular FormulaC22H26N4OSi
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Nametrimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc21
InChIInChI=1S/C22H26N4OSi/c1-28(2,3)14-13-27-17-25-12-10-21-20(9-11-23-22(21)25)18-15-24-26(16-18)19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyUKRCLLYFHCNUFN-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': '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-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 57477679) is trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc21.
What is the InChIKey of trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is UKRCLLYFHCNUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OSi/c1-28(2,3)14-13-27-17-25-12-10-21-20(9-11-23-22(21)25)18-15-24-26(16-18)19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(1-phenylpyrazol-4-yl)pyrrolo[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-[[4-(1-phenylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 57477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).