About trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane
trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane (PubChem CID 90391139) has the molecular formula C27H33N5O2Si
and a molecular weight of 487.68 g/mol. Its IUPAC name is trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane |
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| PubChem CID | 90391139 |
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| Molecular Formula | C27H33N5O2Si |
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| Molecular Weight | 487.68 g/mol |
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| Exact Mass | 487.24 |
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| IUPAC Name | trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane |
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| SMILES | C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccccn3)ccc21 |
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| InChI | InChI=1S/C27H33N5O2Si/c1-35(2,3)17-16-34-20-32-25-8-7-21(24-6-4-5-10-28-24)18-23(25)27(30-32)22-9-11-29-26(19-22)31-12-14-33-15-13-31/h4-11,18-19H,12-17,20H2,1-3H3 |
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| InChIKey | NUXYPNQOWCTCPB-UHFFFAOYSA-N |
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| XLogP | 5.31 |
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| TPSA | 65.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 487.68 |
| LogP ≤ 5 | 5.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane (CID 90391139) is trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccccn3)ccc21.
What is the InChIKey of trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane?
The InChIKey is NUXYPNQOWCTCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2Si/c1-35(2,3)17-16-34-20-32-25-8-7-21(24-6-4-5-10-28-24)18-23(25)27(30-32)22-9-11-29-26(19-22)31-12-14-33-15-13-31/h4-11,18-19H,12-17,20H2,1-3H3.
What are the key properties of trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane has a molecular weight of 487.68 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 90391139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).