About 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 71271911) has the molecular formula C23H28ClF3N4O2Si
and a molecular weight of 513.04 g/mol. Its IUPAC name is 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 71271911 |
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| Molecular Formula | C23H28ClF3N4O2Si |
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| Molecular Weight | 513.04 g/mol |
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| Exact Mass | 512.16 |
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| IUPAC Name | 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)c(C(F)(F)F)cnc21 |
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| InChI | InChI=1S/C23H28ClF3N4O2Si/c1-34(2,3)11-10-33-15-31-19(12-17-21(24)18(23(25,26)27)14-29-22(17)31)16-4-5-20(28-13-16)30-6-8-32-9-7-30/h4-5,12-14H,6-11,15H2,1-3H3 |
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| InChIKey | UDOCTMPSCXIXOQ-UHFFFAOYSA-N |
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| XLogP | 5.92 |
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| TPSA | 52.41 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 513.04 |
| LogP ≤ 5 | 5.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 71271911) is 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)c(C(F)(F)F)cnc21.
What is the InChIKey of 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UDOCTMPSCXIXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF3N4O2Si/c1-34(2,3)11-10-33-15-31-19(12-17-21(24)18(23(25,26)27)14-29-22(17)31)16-4-5-20(28-13-16)30-6-8-32-9-7-30/h4-5,12-14H,6-11,15H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 513.04 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71271911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).