About 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one
6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 140853516) has the molecular formula C30H39N5O2Si
and a molecular weight of 529.76 g/mol. Its IUPAC name is 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one.
Molecular Properties
| Compound Name | 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one |
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| PubChem CID | 140853516 |
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| Molecular Formula | C30H39N5O2Si |
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| Molecular Weight | 529.76 g/mol |
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| Exact Mass | 529.29 |
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| IUPAC Name | 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one |
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| SMILES | Cc1c(-c2cccc(N)c2)c(=O)n2nc(-c3ccccc3)c(N3CCCCC3)c2n1COCC[Si](C)(C)C |
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| InChI | InChI=1S/C30H39N5O2Si/c1-22-26(24-14-11-15-25(31)20-24)30(36)35-29(34(22)21-37-18-19-38(2,3)4)28(33-16-9-6-10-17-33)27(32-35)23-12-7-5-8-13-23/h5,7-8,11-15,20H,6,9-10,16-19,21,31H2,1-4H3 |
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| InChIKey | WXASLAAAXWLKIL-UHFFFAOYSA-N |
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| XLogP | 6.02 |
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| TPSA | 77.79 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 529.76 |
| LogP ≤ 5 | 6.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 140853516) is 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2cccc(N)c2)c(=O)n2nc(-c3ccccc3)c(N3CCCCC3)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WXASLAAAXWLKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2Si/c1-22-26(24-14-11-15-25(31)20-24)30(36)35-29(34(22)21-37-18-19-38(2,3)4)28(33-16-9-6-10-17-33)27(32-35)23-12-7-5-8-13-23/h5,7-8,11-15,20H,6,9-10,16-19,21,31H2,1-4H3.
What are the key properties of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one?
6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 529.76 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 140853516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).