About 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile
5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile (PubChem CID 134299059) has the molecular formula C54H48Cl4N6O6
and a molecular weight of 1018.83 g/mol. Its IUPAC name is 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile |
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| PubChem CID | 134299059 |
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| Molecular Formula | C54H48Cl4N6O6 |
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| Molecular Weight | 1018.83 g/mol |
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| Exact Mass | 1016.24 |
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| IUPAC Name | 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile |
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| SMILES | CC1CCN(C(=O)c2cc(Cl)c(OCc3cccc(-c4cccc(COc5cc(OCc6cncc(C#N)c6)c(C(=O)N6CCC(C)CC6)cc5Cl)c4Cl)c3Cl)cc2OCc2cncc(C#N)c2)CC1 |
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| InChI | InChI=1S/C54H48Cl4N6O6/c1-33-9-13-63(14-10-33)53(65)43-19-45(55)49(21-47(43)67-29-37-17-35(23-59)25-61-27-37)69-31-39-5-3-7-41(51(39)57)42-8-4-6-40(52(42)58)32-70-50-22-48(68-30-38-18-36(24-60)26-62-28-38)44(20-46(50)56)54(66)64-15-11-34(2)12-16-64/h3-8,17-22,25-28,33-34H,9-16,29-32H2,1-2H3 |
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| InChIKey | JHXYIVAMZWLGGD-UHFFFAOYSA-N |
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| XLogP | 12.56 |
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| TPSA | 150.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1018.83 |
| LogP ≤ 5 | 12.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile (CID 134299059) is 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile is CC1CCN(C(=O)c2cc(Cl)c(OCc3cccc(-c4cccc(COc5cc(OCc6cncc(C#N)c6)c(C(=O)N6CCC(C)CC6)cc5Cl)c4Cl)c3Cl)cc2OCc2cncc(C#N)c2)CC1.
What is the InChIKey of 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile?
The InChIKey is JHXYIVAMZWLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48Cl4N6O6/c1-33-9-13-63(14-10-33)53(65)43-19-45(55)49(21-47(43)67-29-37-17-35(23-59)25-61-27-37)69-31-39-5-3-7-41(51(39)57)42-8-4-6-40(52(42)58)32-70-50-22-48(68-30-38-18-36(24-60)26-62-28-38)44(20-46(50)56)54(66)64-15-11-34(2)12-16-64/h3-8,17-22,25-28,33-34H,9-16,29-32H2,1-2H3.
What are the key properties of 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile?
5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile has a molecular weight of 1018.83 g/mol, XLogP of 12.56, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-5-[[2-chloro-3-[2-chloro-3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]phenyl]phenyl]methoxy]-2-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 134299059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).