About [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone
[4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324507) has the molecular formula C22H29FN8O2
and a molecular weight of 456.53 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone.
Molecular Properties
| Compound Name | [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone |
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| PubChem CID | 134324507 |
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| Molecular Formula | C22H29FN8O2 |
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| Molecular Weight | 456.53 g/mol |
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| Exact Mass | 456.24 |
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| IUPAC Name | [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone |
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| SMILES | CN(C)C1CCN(C(=O)c2nc3nc(-c4cnn(C)c4)c(F)c(N4CCOCC4)c3[nH]2)CC1 |
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| InChI | InChI=1S/C22H29FN8O2/c1-28(2)15-4-6-31(7-5-15)22(32)21-26-18-19(30-8-10-33-11-9-30)16(23)17(25-20(18)27-21)14-12-24-29(3)13-14/h12-13,15H,4-11H2,1-3H3,(H,25,26,27) |
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| InChIKey | VQOYOAGEUYSVBH-UHFFFAOYSA-N |
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| XLogP | 1.50 |
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| TPSA | 95.41 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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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 | 456.53 |
| LogP ≤ 5 | 1.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone (CID 134324507) is [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone is CN(C)C1CCN(C(=O)c2nc3nc(-c4cnn(C)c4)c(F)c(N4CCOCC4)c3[nH]2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The InChIKey is VQOYOAGEUYSVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN8O2/c1-28(2)15-4-6-31(7-5-15)22(32)21-26-18-19(30-8-10-33-11-9-30)16(23)17(25-20(18)27-21)14-12-24-29(3)13-14/h12-13,15H,4-11H2,1-3H3,(H,25,26,27).
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 456.53 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).