About N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422962) has the molecular formula C23H20F3N7O2
and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| PubChem CID | 134422962 |
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| Molecular Formula | C23H20F3N7O2 |
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| Molecular Weight | 483.45 g/mol |
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| Exact Mass | 483.16 |
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| IUPAC Name | N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| SMILES | O=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNc1ccncc1 |
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| InChI | InChI=1S/C23H20F3N7O2/c24-23(25,26)20-3-1-2-19(31-20)22(35)30-17-4-5-18-15(12-17)13-33(32-18)14-21(34)29-11-10-28-16-6-8-27-9-7-16/h1-9,12-13H,10-11,14H2,(H,27,28)(H,29,34)(H,30,35) |
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| InChIKey | CMZYMHMUKYDLGR-UHFFFAOYSA-N |
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| XLogP | 3.33 |
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| TPSA | 113.83 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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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 | 483.45 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422962) is N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNc1ccncc1.
What is the InChIKey of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CMZYMHMUKYDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c24-23(25,26)20-3-1-2-19(31-20)22(35)30-17-4-5-18-15(12-17)13-33(32-18)14-21(34)29-11-10-28-16-6-8-27-9-7-16/h1-9,12-13H,10-11,14H2,(H,27,28)(H,29,34)(H,30,35).
What are the key properties of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).