About N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide
N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 56932790) has the molecular formula C26H27ClN6O3
and a molecular weight of 506.99 g/mol. Its IUPAC name is N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide.
Molecular Properties
| Compound Name | N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide |
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| PubChem CID | 56932790 |
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| Molecular Formula | C26H27ClN6O3 |
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| Molecular Weight | 506.99 g/mol |
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| Exact Mass | 506.18 |
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| IUPAC Name | N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide |
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| SMILES | CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cn1 |
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| InChI | InChI=1S/C26H27ClN6O3/c1-16(34)32-26(2,3)22-9-8-19(15-28-22)36-25-29-21-14-20(27)23(30-24(21)31-25)17-4-6-18(7-5-17)33-10-12-35-13-11-33/h4-9,14-15H,10-13H2,1-3H3,(H,32,34)(H,29,30,31) |
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| InChIKey | LRQNIKRTPJLNRY-UHFFFAOYSA-N |
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| XLogP | 4.67 |
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| TPSA | 105.26 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 506.99 |
| LogP ≤ 5 | 4.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide (CID 56932790) is N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cn1.
What is the InChIKey of N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is LRQNIKRTPJLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O3/c1-16(34)32-26(2,3)22-9-8-19(15-28-22)36-25-29-21-14-20(27)23(30-24(21)31-25)17-4-6-18(7-5-17)33-10-12-35-13-11-33/h4-9,14-15H,10-13H2,1-3H3,(H,32,34)(H,29,30,31).
What are the key properties of N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 506.99 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 56932790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).