About 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 59605777) has the molecular formula C27H34N8O3S
and a molecular weight of 550.69 g/mol. Its IUPAC name is 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
Molecular Properties
| Compound Name | 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide |
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| PubChem CID | 59605777 |
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| Molecular Formula | C27H34N8O3S |
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| Molecular Weight | 550.69 g/mol |
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| Exact Mass | 550.25 |
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| IUPAC Name | 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide |
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| SMILES | COc1nn(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(C)(C)C(N)=O)CC4)cc3n2)c2ccccc12 |
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| InChI | InChI=1S/C27H34N8O3S/c1-27(2,25(28)36)34-10-8-32(9-11-34)17-18-16-20-22(39-18)23(33-12-14-38-15-13-33)30-26(29-20)35-21-7-5-4-6-19(21)24(31-35)37-3/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36) |
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| InChIKey | LUWIZSRYZPZVIO-UHFFFAOYSA-N |
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| XLogP | 2.26 |
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| TPSA | 114.87 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 550.69 |
| LogP ≤ 5 | 2.26 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 59605777) is 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is COc1nn(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(C)(C)C(N)=O)CC4)cc3n2)c2ccccc12.
What is the InChIKey of 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is LUWIZSRYZPZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3S/c1-27(2,25(28)36)34-10-8-32(9-11-34)17-18-16-20-22(39-18)23(33-12-14-38-15-13-33)30-26(29-20)35-21-7-5-4-6-19(21)24(31-35)37-3/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36).
What are the key properties of 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 550.69 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methoxyindazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 59605777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).