About 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one
5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one (PubChem CID 92530654) has the molecular formula C28H30N6O3
and a molecular weight of 498.59 g/mol. Its IUPAC name is 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one.
Molecular Properties
| Compound Name | 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one |
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| PubChem CID | 92530654 |
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| Molecular Formula | C28H30N6O3 |
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| Molecular Weight | 498.59 g/mol |
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| Exact Mass | 498.24 |
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| IUPAC Name | 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one |
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| SMILES | O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCN(Cc2ccccn2)CC1 |
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| InChI | InChI=1S/C28H30N6O3/c35-27(33-14-12-31(13-15-33)17-21-7-4-5-11-29-21)24-19-32(18-23-10-6-16-37-23)20-25-26(24)30-34(28(25)36)22-8-2-1-3-9-22/h1-5,7-9,11,19-20,23H,6,10,12-18H2/t23-/m1/s1 |
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| InChIKey | ZXYNVKIYUXYIKT-HSZRJFAPSA-N |
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| XLogP | 2.67 |
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| TPSA | 85.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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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 | 498.59 |
| LogP ≤ 5 | 2.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one (CID 92530654) is 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one is O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is ZXYNVKIYUXYIKT-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H30N6O3/c35-27(33-14-12-31(13-15-33)17-21-7-4-5-11-29-21)24-19-32(18-23-10-6-16-37-23)20-25-26(24)30-34(28(25)36)22-8-2-1-3-9-22/h1-5,7-9,11,19-20,23H,6,10,12-18H2/t23-/m1/s1.
What are the key properties of 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one?
5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 498.59 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 92530654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).