About 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398677) has the molecular formula C27H32F2N6OSi
and a molecular weight of 522.68 g/mol. Its IUPAC name is 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 90398677 |
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| Molecular Formula | C27H32F2N6OSi |
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| Molecular Weight | 522.68 g/mol |
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| Exact Mass | 522.24 |
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| IUPAC Name | 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCC(F)(F)CC2)ncn1 |
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| InChI | InChI=1S/C27H32F2N6OSi/c1-37(2,3)14-13-36-19-35-26(22-15-20(6-7-23(22)33-35)21-5-4-10-30-17-21)24-16-25(32-18-31-24)34-11-8-27(28,29)9-12-34/h4-7,10,15-18H,8-9,11-14,19H2,1-3H3 |
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| InChIKey | WESDQMUXMLVOLD-UHFFFAOYSA-N |
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| XLogP | 6.10 |
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| TPSA | 68.96 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 | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 522.68 |
| LogP ≤ 5 | 6.10 |
| 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 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398677) is 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCC(F)(F)CC2)ncn1.
What is the InChIKey of 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WESDQMUXMLVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6OSi/c1-37(2,3)14-13-36-19-35-26(22-15-20(6-7-23(22)33-35)21-5-4-10-30-17-21)24-16-25(32-18-31-24)34-11-8-27(28,29)9-12-34/h4-7,10,15-18H,8-9,11-14,19H2,1-3H3.
What are the key properties of 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 522.68 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).