About 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 59191486) has the molecular formula C29H38N8O2
and a molecular weight of 530.68 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide |
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| PubChem CID | 59191486 |
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| Molecular Formula | C29H38N8O2 |
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| Molecular Weight | 530.68 g/mol |
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| Exact Mass | 530.31 |
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| IUPAC Name | 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide |
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| SMILES | Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C |
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| InChI | InChI=1S/C29H38N8O2/c1-21-20-36(28-23(3)22(2)25(33-34-28)17-24-7-5-4-6-8-24)11-12-37(21)27-19-31-26(18-32-27)29(38)30-9-10-35-13-15-39-16-14-35/h4-8,18-19,21H,9-17,20H2,1-3H3,(H,30,38)/t21-/m1/s1 |
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| InChIKey | FHRXCLYBSQUUCJ-OAQYLSRUSA-N |
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| XLogP | 2.25 |
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| TPSA | 99.61 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 530.68 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (CID 59191486) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is FHRXCLYBSQUUCJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H38N8O2/c1-21-20-36(28-23(3)22(2)25(33-34-28)17-24-7-5-4-6-8-24)11-12-37(21)27-19-31-26(18-32-27)29(38)30-9-10-35-13-15-39-16-14-35/h4-8,18-19,21H,9-17,20H2,1-3H3,(H,30,38)/t21-/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 530.68 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59191486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).