About N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (PubChem CID 134434624) has the molecular formula C34H38N8O3
and a molecular weight of 606.73 g/mol. Its IUPAC name is N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.
Molecular Properties
| Compound Name | N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide |
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| PubChem CID | 134434624 |
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| Molecular Formula | C34H38N8O3 |
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| Molecular Weight | 606.73 g/mol |
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| Exact Mass | 606.31 |
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| IUPAC Name | N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide |
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| SMILES | CC(=O)N1CCN(CCOc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)CC1 |
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| InChI | InChI=1S/C34H38N8O3/c1-25(43)40-16-14-39(15-17-40)18-19-45-29-20-30(32-28(21-35)23-37-42(32)24-29)27-8-9-31(36-22-27)41-12-10-34(2,11-13-41)38-33(44)26-6-4-3-5-7-26/h3-9,20,22-24H,10-19H2,1-2H3,(H,38,44) |
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| InChIKey | WDOQENOSMQLOFO-UHFFFAOYSA-N |
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| XLogP | 3.60 |
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| TPSA | 119.10 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 606.73 |
| LogP ≤ 5 | 3.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (CID 134434624) is N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is CC(=O)N1CCN(CCOc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)CC1.
What is the InChIKey of N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The InChIKey is WDOQENOSMQLOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O3/c1-25(43)40-16-14-39(15-17-40)18-19-45-29-20-30(32-28(21-35)23-37-42(32)24-29)27-8-9-31(36-22-27)41-12-10-34(2,11-13-41)38-33(44)26-6-4-3-5-7-26/h3-9,20,22-24H,10-19H2,1-2H3,(H,38,44).
What are the key properties of N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide has a molecular weight of 606.73 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[6-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 134434624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).