About [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone
[4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324463) has the molecular formula C23H32N8O2
and a molecular weight of 452.56 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone.
Molecular Properties
| Compound Name | [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone |
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| PubChem CID | 134324463 |
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| Molecular Formula | C23H32N8O2 |
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| Molecular Weight | 452.56 g/mol |
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| Exact Mass | 452.26 |
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| IUPAC Name | [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone |
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| SMILES | CN(C)C1CCN(C(=O)c2nc3c(N4CCOCC4)cc(-c4cnn(C)c4)nc3n2C)CC1 |
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| InChI | InChI=1S/C23H32N8O2/c1-27(2)17-5-7-31(8-6-17)23(32)22-26-20-19(30-9-11-33-12-10-30)13-18(25-21(20)29(22)4)16-14-24-28(3)15-16/h13-15,17H,5-12H2,1-4H3 |
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| InChIKey | WOPMFMUGTMSMBW-UHFFFAOYSA-N |
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| XLogP | 1.37 |
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| TPSA | 84.55 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 4 |
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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 |
|---|
| MW ≤ 500 | 452.56 |
| LogP ≤ 5 | 1.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (CID 134324463) is [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is CN(C)C1CCN(C(=O)c2nc3c(N4CCOCC4)cc(-c4cnn(C)c4)nc3n2C)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?
The InChIKey is WOPMFMUGTMSMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-27(2)17-5-7-31(8-6-17)23(32)22-26-20-19(30-9-11-33-12-10-30)13-18(25-21(20)29(22)4)16-14-24-28(3)15-16/h13-15,17H,5-12H2,1-4H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 452.56 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).