About (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone
(2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 126740048) has the molecular formula C29H29N7O2
and a molecular weight of 507.60 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
Molecular Properties
| Compound Name | (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone |
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| PubChem CID | 126740048 |
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| Molecular Formula | C29H29N7O2 |
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| Molecular Weight | 507.60 g/mol |
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| Exact Mass | 507.24 |
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| IUPAC Name | (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone |
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| SMILES | Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5nccc45)cn3)CC2)cc1 |
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| InChI | InChI=1S/C29H29N7O2/c1-20-3-5-21(6-4-20)28(37)29(38)35-13-11-34(12-14-35)27-8-7-22(16-30-27)25-15-23(24-17-32-33(2)18-24)19-36-26(25)9-10-31-36/h3-10,15-19,28,37H,11-14H2,1-2H3/t28-/m1/s1 |
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| InChIKey | XWDBUNBSYLAEIX-MUUNZHRXSA-N |
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| XLogP | 3.49 |
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| TPSA | 91.79 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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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 | 507.60 |
| LogP ≤ 5 | 3.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 126740048) is (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone is Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5nccc45)cn3)CC2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is XWDBUNBSYLAEIX-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-20-3-5-21(6-4-20)28(37)29(38)35-13-11-34(12-14-35)27-8-7-22(16-30-27)25-15-23(24-17-32-33(2)18-24)19-36-26(25)9-10-31-36/h3-10,15-19,28,37H,11-14H2,1-2H3/t28-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
(2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 507.60 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126740048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).