About 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135211513) has the molecular formula C28H25Cl2N5O5
and a molecular weight of 582.44 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.
Molecular Properties
| Compound Name | 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide |
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| PubChem CID | 135211513 |
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| Molecular Formula | C28H25Cl2N5O5 |
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| Molecular Weight | 582.44 g/mol |
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| Exact Mass | 581.12 |
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| IUPAC Name | 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide |
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| SMILES | COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(Cl)no2)cc1=O |
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| InChI | InChI=1S/C28H25Cl2N5O5/c1-34-14-16-10-18(5-7-22(16)32-34)31-28(37)23(8-9-38-2)35-15-25(39-3)21(12-27(35)36)20-11-17(29)4-6-19(20)24-13-26(30)33-40-24/h4-7,10-15,23H,8-9H2,1-3H3,(H,31,37) |
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| InChIKey | KOOPULMUYDUHAS-UHFFFAOYSA-N |
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| XLogP | 5.59 |
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| TPSA | 113.41 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 582.44 |
| LogP ≤ 5 | 5.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (CID 135211513) is 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(Cl)no2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is KOOPULMUYDUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N5O5/c1-34-14-16-10-18(5-7-22(16)32-34)31-28(37)23(8-9-38-2)35-15-25(39-3)21(12-27(35)36)20-11-17(29)4-6-19(20)24-13-26(30)33-40-24/h4-7,10-15,23H,8-9H2,1-3H3,(H,31,37).
What are the key properties of 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 582.44 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).