About 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71283428) has the molecular formula C27H26BrFN6O2
and a molecular weight of 565.45 g/mol. Its IUPAC name is 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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| PubChem CID | 71283428 |
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| Molecular Formula | C27H26BrFN6O2 |
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| Molecular Weight | 565.45 g/mol |
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| Exact Mass | 564.13 |
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| IUPAC Name | 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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| SMILES | CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnn4cc(Br)ccc34)c2)CC1 |
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| InChI | InChI=1S/C27H26BrFN6O2/c1-33-10-12-34(13-11-33)24-5-3-2-4-19(24)15-30-26(36)18-6-8-22(29)23(14-18)32-27(37)21-16-31-35-17-20(28)7-9-25(21)35/h2-9,14,16-17H,10-13,15H2,1H3,(H,30,36)(H,32,37) |
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| InChIKey | LSCQEBYZTRKPQM-UHFFFAOYSA-N |
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| XLogP | 4.17 |
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| TPSA | 81.98 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 565.45 |
| LogP ≤ 5 | 4.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71283428) is 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnn4cc(Br)ccc34)c2)CC1.
What is the InChIKey of 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LSCQEBYZTRKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrFN6O2/c1-33-10-12-34(13-11-33)24-5-3-2-4-19(24)15-30-26(36)18-6-8-22(29)23(14-18)32-27(37)21-16-31-35-17-20(28)7-9-25(21)35/h2-9,14,16-17H,10-13,15H2,1H3,(H,30,36)(H,32,37).
What are the key properties of 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 565.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).