About 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041433) has the molecular formula C29H25FN6OS
and a molecular weight of 524.63 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
Molecular Properties
| Compound Name | 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine |
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| PubChem CID | 137041433 |
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| Molecular Formula | C29H25FN6OS |
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| Molecular Weight | 524.63 g/mol |
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| Exact Mass | 524.18 |
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| IUPAC Name | 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine |
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| SMILES | Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)s1 |
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| InChI | InChI=1S/C29H25FN6OS/c30-27-7-6-26(38-27)21-4-3-5-24-22(21)14-25(33-24)28-23-13-19(16-32-29(23)35-34-28)18-12-20(17-31-15-18)37-11-10-36-8-1-2-9-36/h3-7,12-17,33H,1-2,8-11H2,(H,32,34,35) |
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| InChIKey | UXPWLMCCGCSAJJ-UHFFFAOYSA-N |
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| XLogP | 6.51 |
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| TPSA | 82.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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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 | 524.63 |
| LogP ≤ 5 | 6.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137041433) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is UXPWLMCCGCSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6OS/c30-27-7-6-26(38-27)21-4-3-5-24-22(21)14-25(33-24)28-23-13-19(16-32-29(23)35-34-28)18-12-20(17-31-15-18)37-11-10-36-8-1-2-9-36/h3-7,12-17,33H,1-2,8-11H2,(H,32,34,35).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 524.63 g/mol, XLogP of 6.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).