About 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-propan-2-ylpiperidin-4-amine
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 11635326) has the molecular formula C29H39N7O2S
and a molecular weight of 549.75 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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-amine |
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| PubChem CID | 11635326 |
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| Molecular Formula | C29H39N7O2S |
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| Molecular Weight | 549.75 g/mol |
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| Exact Mass | 549.29 |
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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-propan-2-ylpiperidin-4-amine |
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| SMILES | COCCN(C(C)C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 |
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| InChI | InChI=1S/C29H39N7O2S/c1-20(2)36(13-14-37-3)21-7-9-34(10-8-21)19-22-17-26-27(39-22)29(35-11-15-38-16-12-35)32-28(31-26)23-5-4-6-25-24(23)18-30-33-25/h4-6,17-18,20-21H,7-16,19H2,1-3H3,(H,30,33) |
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| InChIKey | ALVUMINANMMQOL-UHFFFAOYSA-N |
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| XLogP | 4.39 |
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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 | 9 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 549.75 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-propan-2-ylpiperidin-4-amine with MolForge
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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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-amine (CID 11635326) is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-propan-2-ylpiperidin-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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-amine is COCCN(C(C)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-propan-2-ylpiperidin-4-amine?
The InChIKey is ALVUMINANMMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O2S/c1-20(2)36(13-14-37-3)21-7-9-34(10-8-21)19-22-17-26-27(39-22)29(35-11-15-38-16-12-35)32-28(31-26)23-5-4-6-25-24(23)18-30-33-25/h4-6,17-18,20-21H,7-16,19H2,1-3H3,(H,30,33).
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-propan-2-ylpiperidin-4-amine?
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 549.75 g/mol, XLogP of 4.39, 9 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 11635326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).