About 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (PubChem CID 57405160) has the molecular formula C24H23Cl2N5O2S
and a molecular weight of 516.45 g/mol. Its IUPAC name is 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.
Molecular Properties
| Compound Name | 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one |
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| PubChem CID | 57405160 |
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| Molecular Formula | C24H23Cl2N5O2S |
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| Molecular Weight | 516.45 g/mol |
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| Exact Mass | 515.09 |
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| IUPAC Name | 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one |
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| SMILES | Cc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)C)n4)ncc3Cl)c(=O)c2Cl)cs1 |
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| InChI | InChI=1S/C24H23Cl2N5O2S/c1-13-8-20(33-11-15-12-34-14(2)29-15)21(26)22(32)31(13)19-9-18(28-10-16(19)25)17-6-7-27-23(30-17)24(3,4)5/h6-10,12H,11H2,1-5H3 |
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| InChIKey | FZEBMFFEKOLCPG-UHFFFAOYSA-N |
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| XLogP | 5.95 |
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| TPSA | 82.79 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 516.45 |
| LogP ≤ 5 | 5.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (CID 57405160) is 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is Cc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)C)n4)ncc3Cl)c(=O)c2Cl)cs1.
What is the InChIKey of 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The InChIKey is FZEBMFFEKOLCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2S/c1-13-8-20(33-11-15-12-34-14(2)29-15)21(26)22(32)31(13)19-9-18(28-10-16(19)25)17-6-7-27-23(30-17)24(3,4)5/h6-10,12H,11H2,1-5H3.
What are the key properties of 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one has a molecular weight of 516.45 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 57405160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).