About 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one
2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one (PubChem CID 138715081) has the molecular formula C24H30N8O3
and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one.
Molecular Properties
| Compound Name | 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one |
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| PubChem CID | 138715081 |
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| Molecular Formula | C24H30N8O3 |
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| Molecular Weight | 478.56 g/mol |
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| Exact Mass | 478.24 |
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| IUPAC Name | 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one |
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| SMILES | CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(=O)n(CCOC)n2)CC1 |
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| InChI | InChI=1S/C24H30N8O3/c1-25-21-12-20-19(14-26-21)24(16-13-27-30(2)15-16)29-32(20)17-4-6-18(7-5-17)35-22-8-9-23(33)31(28-22)10-11-34-3/h8-9,12-15,17-18H,4-7,10-11H2,1-3H3,(H,25,26) |
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| InChIKey | WGNKZRABLXPPLX-UHFFFAOYSA-N |
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| XLogP | 2.64 |
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| TPSA | 113.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 478.56 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one (CID 138715081) is 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(=O)n(CCOC)n2)CC1.
What is the InChIKey of 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?
The InChIKey is WGNKZRABLXPPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-25-21-12-20-19(14-26-21)24(16-13-27-30(2)15-16)29-32(20)17-4-6-18(7-5-17)35-22-8-9-23(33)31(28-22)10-11-34-3/h8-9,12-15,17-18H,4-7,10-11H2,1-3H3,(H,25,26).
What are the key properties of 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?
2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one has a molecular weight of 478.56 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one is sourced from PubChem (CID 138715081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).