About N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169110693) has the molecular formula C23H24F2N6O2
and a molecular weight of 454.48 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide |
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| PubChem CID | 169110693 |
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| Molecular Formula | C23H24F2N6O2 |
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| Molecular Weight | 454.48 g/mol |
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| Exact Mass | 454.19 |
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| IUPAC Name | N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide |
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| SMILES | Cc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)cc2[nH]c1=O |
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| InChI | InChI=1S/C23H24F2N6O2/c1-13-22(32)29-18-11-14(10-16(24)20(18)26-13)12-30-6-8-31(9-7-30)19-5-4-17(28-21(19)25)23(33)27-15-2-3-15/h4-5,10-11,15H,2-3,6-9,12H2,1H3,(H,27,33)(H,29,32) |
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| InChIKey | KPMUGYLNUWRMPT-UHFFFAOYSA-N |
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| XLogP | 2.12 |
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| TPSA | 94.22 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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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 | 454.48 |
| LogP ≤ 5 | 2.12 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169110693) is N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is Cc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)cc2[nH]c1=O.
What is the InChIKey of N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is KPMUGYLNUWRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-13-22(32)29-18-11-14(10-16(24)20(18)26-13)12-30-6-8-31(9-7-30)19-5-4-17(28-21(19)25)23(33)27-15-2-3-15/h4-5,10-11,15H,2-3,6-9,12H2,1H3,(H,27,33)(H,29,32).
What are the key properties of N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).