About 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile
5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile (PubChem CID 118537531) has the molecular formula C28H28N6O2
and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile.
Molecular Properties
| Compound Name | 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile |
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| PubChem CID | 118537531 |
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| Molecular Formula | C28H28N6O2 |
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| Molecular Weight | 480.57 g/mol |
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| Exact Mass | 480.23 |
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| IUPAC Name | 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile |
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| SMILES | N#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCNCC1 |
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| InChI | InChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33) |
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| InChIKey | DBYUFBCKJUKDEA-UHFFFAOYSA-N |
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| XLogP | 4.13 |
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| TPSA | 99.09 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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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 | 480.57 |
| LogP ≤ 5 | 4.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The IUPAC name of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile (CID 118537531) is 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile.
What is the SMILES notation for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The canonical SMILES for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile is N#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCNCC1.
What is the InChIKey of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The InChIKey is DBYUFBCKJUKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33).
What are the key properties of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile has a molecular weight of 480.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 118537531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).