About 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136937970) has the molecular formula C28H24FN7OS
and a molecular weight of 525.61 g/mol. Its IUPAC name is 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
Molecular Properties
| Compound Name | 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine |
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| PubChem CID | 136937970 |
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| Molecular Formula | C28H24FN7OS |
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| Molecular Weight | 525.61 g/mol |
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| Exact Mass | 525.17 |
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| IUPAC Name | 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine |
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| SMILES | Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)s1 |
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| InChI | InChI=1S/C28H24FN7OS/c29-24-6-5-23(38-24)20-7-8-31-27-25(20)32-28(33-27)26-21-14-17(3-4-22(21)34-35-26)18-13-19(16-30-15-18)37-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,34,35)(H,31,32,33) |
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| InChIKey | ROABACSQNCWMRO-UHFFFAOYSA-N |
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| XLogP | 5.91 |
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| TPSA | 95.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 525.61 |
| LogP ≤ 5 | 5.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 136937970) is 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)s1.
What is the InChIKey of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ROABACSQNCWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7OS/c29-24-6-5-23(38-24)20-7-8-31-27-25(20)32-28(33-27)26-21-14-17(3-4-22(21)34-35-26)18-13-19(16-30-15-18)37-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,34,35)(H,31,32,33).
What are the key properties of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 525.61 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).