About 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (PubChem CID 11569931) has the molecular formula C27H35N7O2S
and a molecular weight of 521.69 g/mol. Its IUPAC name is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.
Molecular Properties
| Compound Name | 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine |
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| PubChem CID | 11569931 |
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| Molecular Formula | C27H35N7O2S |
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| Molecular Weight | 521.69 g/mol |
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| Exact Mass | 521.26 |
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| IUPAC Name | 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine |
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| SMILES | COCCN(C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 |
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| InChI | InChI=1S/C27H35N7O2S/c1-32(10-13-35-2)19-6-8-33(9-7-19)18-20-16-24-25(37-20)27(34-11-14-36-15-12-34)30-26(29-24)21-4-3-5-23-22(21)17-28-31-23/h3-5,16-17,19H,6-15,18H2,1-2H3,(H,28,31) |
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| InChIKey | HBCRHZPQEXEYFA-UHFFFAOYSA-N |
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| XLogP | 3.61 |
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| TPSA | 82.64 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 | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.69 |
| LogP ≤ 5 | 3.61 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (CID 11569931) is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is COCCN(C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The InChIKey is HBCRHZPQEXEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2S/c1-32(10-13-35-2)19-6-8-33(9-7-19)18-20-16-24-25(37-20)27(34-11-14-36-15-12-34)30-26(29-24)21-4-3-5-23-22(21)17-28-31-23/h3-5,16-17,19H,6-15,18H2,1-2H3,(H,28,31).
What are the key properties of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine has a molecular weight of 521.69 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 11569931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).