About trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 57477567) has the molecular formula C23H32N6OSi
and a molecular weight of 436.64 g/mol. Its IUPAC name is trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane |
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| PubChem CID | 57477567 |
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| Molecular Formula | C23H32N6OSi |
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| Molecular Weight | 436.64 g/mol |
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| Exact Mass | 436.24 |
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| IUPAC Name | trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane |
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| SMILES | CC(CCn1cccn1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1 |
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| InChI | InChI=1S/C23H32N6OSi/c1-19(7-13-28-11-5-9-25-28)29-17-20(16-26-29)21-6-10-24-23-22(21)8-12-27(23)18-30-14-15-31(2,3)4/h5-6,8-12,16-17,19H,7,13-15,18H2,1-4H3 |
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| InChIKey | HMRRQTUNKKSLAA-UHFFFAOYSA-N |
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| XLogP | 5.06 |
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| TPSA | 62.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 436.64 |
| LogP ≤ 5 | 5.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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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Analyze trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane with MolForge
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 57477567) is trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC(CCn1cccn1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.
What is the InChIKey of trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is HMRRQTUNKKSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OSi/c1-19(7-13-28-11-5-9-25-28)29-17-20(16-26-29)21-6-10-24-23-22(21)8-12-27(23)18-30-14-15-31(2,3)4/h5-6,8-12,16-17,19H,7,13-15,18H2,1-4H3.
What are the key properties of trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 436.64 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 57477567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).