About 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum
2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum (PubChem CID 59399466) has the molecular formula C17H16F2N5O2Pt-
and a molecular weight of 555.42 g/mol. Its IUPAC name is 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum.
Molecular Properties
| Compound Name | 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum |
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| PubChem CID | 59399466 |
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| Molecular Formula | C17H16F2N5O2Pt- |
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| Molecular Weight | 555.42 g/mol |
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| Exact Mass | 555.09 |
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| IUPAC Name | 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum |
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| SMILES | Cn1cc(C(=O)O)nc1C(C)(C)c1nc(-c2[c-]cc(F)nc2F)cn1C.[Pt] |
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| InChI | InChI=1S/C17H16F2N5O2.Pt/c1-17(2,16-21-11(14(25)26)8-24(16)4)15-20-10(7-23(15)3)9-5-6-12(18)22-13(9)19;/h6-8H,1-4H3,(H,25,26);/q-1; |
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| InChIKey | RKIGVIXHIXTKHK-UHFFFAOYSA-N |
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| XLogP | 2.32 |
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| TPSA | 85.83 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 555.42 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum?
The IUPAC name of 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum (CID 59399466) is 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum.
What is the SMILES notation for 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum?
The canonical SMILES for 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum is Cn1cc(C(=O)O)nc1C(C)(C)c1nc(-c2[c-]cc(F)nc2F)cn1C.[Pt].
What is the InChIKey of 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum?
The InChIKey is RKIGVIXHIXTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N5O2.Pt/c1-17(2,16-21-11(14(25)26)8-24(16)4)15-20-10(7-23(15)3)9-5-6-12(18)22-13(9)19;/h6-8H,1-4H3,(H,25,26);/q-1;.
What are the key properties of 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum?
2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum has a molecular weight of 555.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum is sourced from PubChem (CID 59399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).