About 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (PubChem CID 46867015) has the molecular formula C26H31BrN8O
and a molecular weight of 551.49 g/mol. Its IUPAC name is 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.
Molecular Properties
| Compound Name | 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine |
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| PubChem CID | 46867015 |
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| Molecular Formula | C26H31BrN8O |
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| Molecular Weight | 551.49 g/mol |
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| Exact Mass | 550.18 |
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| IUPAC Name | 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine |
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| SMILES | Cn1ccnc1CN1CCN(c2c(Br)cnc3nc(-c4ccc(CN5CCOCC5)cc4)[nH]c23)CC1 |
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| InChI | InChI=1S/C26H31BrN8O/c1-32-7-6-28-22(32)18-33-8-10-35(11-9-33)24-21(27)16-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)17-34-12-14-36-15-13-34/h2-7,16H,8-15,17-18H2,1H3,(H,29,30,31) |
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| InChIKey | CMBJRFZUXFLZFO-UHFFFAOYSA-N |
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| XLogP | 3.28 |
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| TPSA | 78.34 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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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 | 551.49 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (CID 46867015) is 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is Cn1ccnc1CN1CCN(c2c(Br)cnc3nc(-c4ccc(CN5CCOCC5)cc4)[nH]c23)CC1.
What is the InChIKey of 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The InChIKey is CMBJRFZUXFLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrN8O/c1-32-7-6-28-22(32)18-33-8-10-35(11-9-33)24-21(27)16-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)17-34-12-14-36-15-13-34/h2-7,16H,8-15,17-18H2,1H3,(H,29,30,31).
What are the key properties of 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine has a molecular weight of 551.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-bromo-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 46867015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).