About 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 45107177) has the molecular formula C25H32N6O2
and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
Molecular Properties
| Compound Name | 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol |
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| PubChem CID | 45107177 |
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| Molecular Formula | C25H32N6O2 |
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| Molecular Weight | 448.57 g/mol |
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| Exact Mass | 448.26 |
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| IUPAC Name | 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol |
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| SMILES | Cc1c(C(O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C |
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| InChI | InChI=1S/C25H32N6O2/c1-16-15-30(11-12-31(16)21-14-26-20(13-27-21)25(4,5)33)24-18(3)17(2)22(28-29-24)23(32)19-9-7-6-8-10-19/h6-10,13-14,16,23,32-33H,11-12,15H2,1-5H3/t16-,23?/m1/s1 |
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| InChIKey | MXYVDGBMUWHEFC-ADRQNKRLSA-N |
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| XLogP | 2.91 |
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| TPSA | 98.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 448.57 |
| LogP ≤ 5 | 2.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 45107177) is 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(C(O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is MXYVDGBMUWHEFC-ADRQNKRLSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-16-15-30(11-12-31(16)21-14-26-20(13-27-21)25(4,5)33)24-18(3)17(2)22(28-29-24)23(32)19-9-7-6-8-10-19/h6-10,13-14,16,23,32-33H,11-12,15H2,1-5H3/t16-,23?/m1/s1.
What are the key properties of 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 448.57 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-4-[6-[hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 45107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).