About 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (PubChem CID 162071368) has the molecular formula C30H26F2N2O4
and a molecular weight of 516.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.
Molecular Properties
| Compound Name | 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one |
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| PubChem CID | 162071368 |
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| Molecular Formula | C30H26F2N2O4 |
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| Molecular Weight | 516.54 g/mol |
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| Exact Mass | 516.19 |
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| IUPAC Name | 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one |
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| SMILES | COc1cccc(C)c1-c1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c1O |
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| InChI | InChI=1S/C30H26F2N2O4/c1-17-6-5-9-23(38-2)24(17)25-27(18-10-12-20(31)13-11-18)33-29(36)26(28(25)35)30(37)34-15-14-19(16-34)21-7-3-4-8-22(21)32/h3-13,19H,14-16H2,1-2H3,(H2,33,35,36) |
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| InChIKey | ZBCYQTSSKHMCFA-UHFFFAOYSA-N |
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| XLogP | 5.64 |
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| TPSA | 82.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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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 | 516.54 |
| LogP ≤ 5 | 5.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (CID 162071368) is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is COc1cccc(C)c1-c1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c1O.
What is the InChIKey of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The InChIKey is ZBCYQTSSKHMCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N2O4/c1-17-6-5-9-23(38-2)24(17)25-27(18-10-12-20(31)13-11-18)33-29(36)26(28(25)35)30(37)34-15-14-19(16-34)21-7-3-4-8-22(21)32/h3-13,19H,14-16H2,1-2H3,(H2,33,35,36).
What are the key properties of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one has a molecular weight of 516.54 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 162071368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).