About 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 86703227) has the molecular formula C28H26Cl2N4O4
and a molecular weight of 553.45 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one.
Molecular Properties
| Compound Name | 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one |
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| PubChem CID | 86703227 |
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| Molecular Formula | C28H26Cl2N4O4 |
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| Molecular Weight | 553.45 g/mol |
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| Exact Mass | 552.13 |
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| IUPAC Name | 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one |
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| SMILES | COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cnc1OC)C2=O |
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| InChI | InChI=1S/C28H26Cl2N4O4/c1-15(2)33-21(19-12-24(35)32(3)14-23(19)37-4)11-20-26(33)25(16-6-8-17(29)9-7-16)34(28(20)36)22-10-18(30)13-31-27(22)38-5/h6-15,25H,1-5H3 |
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| InChIKey | PXWJWRPJJCGZCB-UHFFFAOYSA-N |
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| XLogP | 5.90 |
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| TPSA | 78.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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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 | 553.45 |
| LogP ≤ 5 | 5.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 86703227) is 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one is COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cnc1OC)C2=O.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is PXWJWRPJJCGZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O4/c1-15(2)33-21(19-12-24(35)32(3)14-23(19)37-4)11-20-26(33)25(16-6-8-17(29)9-7-16)34(28(20)36)22-10-18(30)13-31-27(22)38-5/h6-15,25H,1-5H3.
What are the key properties of 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?
5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 553.45 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-pyridinyl)-6-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 86703227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).