About 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine
6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 134611154) has the molecular formula C27H28BrClFN5O2
and a molecular weight of 588.91 g/mol. Its IUPAC name is 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine.
Molecular Properties
| Compound Name | 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine |
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| PubChem CID | 134611154 |
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| Molecular Formula | C27H28BrClFN5O2 |
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| Molecular Weight | 588.91 g/mol |
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| Exact Mass | 587.11 |
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| IUPAC Name | 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine |
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| SMILES | COCCn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2ncc(Br)cc21 |
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| InChI | InChI=1S/C27H28BrClFN5O2/c1-36-12-11-35-24-13-20(28)15-31-27(24)33-25(35)16-34-9-7-18(8-10-34)23-3-2-4-26(32-23)37-17-19-5-6-21(29)14-22(19)30/h2-6,13-15,18H,7-12,16-17H2,1H3 |
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| InChIKey | JFEXOCZFWDPBNE-UHFFFAOYSA-N |
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| XLogP | 5.99 |
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| TPSA | 65.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 588.91 |
| LogP ≤ 5 | 5.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine (CID 134611154) is 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine is COCCn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2ncc(Br)cc21.
What is the InChIKey of 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is JFEXOCZFWDPBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrClFN5O2/c1-36-12-11-35-24-13-20(28)15-31-27(24)33-25(35)16-34-9-7-18(8-10-34)23-3-2-4-26(32-23)37-17-19-5-6-21(29)14-22(19)30/h2-6,13-15,18H,7-12,16-17H2,1H3.
What are the key properties of 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 588.91 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134611154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).