About [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone
[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 90002224) has the molecular formula C26H23N7O3
and a molecular weight of 481.52 g/mol. Its IUPAC name is [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone |
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| PubChem CID | 90002224 |
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| Molecular Formula | C26H23N7O3 |
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| Molecular Weight | 481.52 g/mol |
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| Exact Mass | 481.19 |
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| IUPAC Name | [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone |
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| SMILES | Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N5CCOCC5)c4c3)n2)c2ccccc12 |
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| InChI | InChI=1S/C26H23N7O3/c27-20-6-8-22(18-4-2-1-3-17(18)20)36-23-9-10-28-26(30-23)29-16-5-7-21-19(15-16)24(32-31-21)25(34)33-11-13-35-14-12-33/h1-10,15H,11-14,27H2,(H,31,32)(H,28,29,30) |
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| InChIKey | LCUUWSNFSABQFS-UHFFFAOYSA-N |
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| XLogP | 4.10 |
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| TPSA | 131.28 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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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 | 481.52 |
| LogP ≤ 5 | 4.10 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone (CID 90002224) is [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone is Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N5CCOCC5)c4c3)n2)c2ccccc12.
What is the InChIKey of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LCUUWSNFSABQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c27-20-6-8-22(18-4-2-1-3-17(18)20)36-23-9-10-28-26(30-23)29-16-5-7-21-19(15-16)24(32-31-21)25(34)33-11-13-35-14-12-33/h1-10,15H,11-14,27H2,(H,31,32)(H,28,29,30).
What are the key properties of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 481.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90002224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).