About (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide
(E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide (PubChem CID 174645547) has the molecular formula C23H26N4O2
and a molecular weight of 390.49 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide |
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| PubChem CID | 174645547 |
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| Molecular Formula | C23H26N4O2 |
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| Molecular Weight | 390.49 g/mol |
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| Exact Mass | 390.21 |
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| IUPAC Name | (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide |
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| SMILES | [H]/N=C(\CCc1c(C)nn2ccccc12)[C@H](CC)c1ccc(/C=C/C(=O)NO)cc1 |
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| InChI | InChI=1S/C23H26N4O2/c1-3-19(18-10-7-17(8-11-18)9-14-23(28)26-29)21(24)13-12-20-16(2)25-27-15-5-4-6-22(20)27/h4-11,14-15,19,24,29H,3,12-13H2,1-2H3,(H,26,28)/b14-9+,24-21+/t19-/m1/s1 |
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| InChIKey | COCSECVIKQZPRH-KIAXYFKWSA-N |
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| XLogP | 4.31 |
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| TPSA | 90.48 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 390.49 |
| LogP ≤ 5 | 4.31 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide (CID 174645547) is (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide is [H]/N=C(\CCc1c(C)nn2ccccc12)[C@H](CC)c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide?
The InChIKey is COCSECVIKQZPRH-KIAXYFKWSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-19(18-10-7-17(8-11-18)9-14-23(28)26-29)21(24)13-12-20-16(2)25-27-15-5-4-6-22(20)27/h4-11,14-15,19,24,29H,3,12-13H2,1-2H3,(H,26,28)/b14-9+,24-21+/t19-/m1/s1.
What are the key properties of (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide has a molecular weight of 390.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 174645547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).