About 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58876863) has the molecular formula C26H24ClFN8O2
and a molecular weight of 534.98 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide |
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| PubChem CID | 58876863 |
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| Molecular Formula | C26H24ClFN8O2 |
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| Molecular Weight | 534.98 g/mol |
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| Exact Mass | 534.17 |
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| IUPAC Name | 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide |
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| SMILES | Cc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1 |
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| InChI | InChI=1S/C26H24ClFN8O2/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35) |
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| InChIKey | HKWVNRRXEAWNPL-UHFFFAOYSA-N |
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| XLogP | 4.37 |
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| TPSA | 117.19 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.98 |
| LogP ≤ 5 | 4.37 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58876863) is 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is Cc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is HKWVNRRXEAWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O2/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35).
What are the key properties of 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 534.98 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).