About N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 155533070) has the molecular formula C26H31N7O3S
and a molecular weight of 521.65 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide.
Molecular Properties
| Compound Name | N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide |
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| PubChem CID | 155533070 |
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| Molecular Formula | C26H31N7O3S |
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| Molecular Weight | 521.65 g/mol |
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| Exact Mass | 521.22 |
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| IUPAC Name | N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide |
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| SMILES | COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 |
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| InChI | InChI=1S/C26H31N7O3S/c1-35-16-23(34)28-17-5-7-32(8-6-17)15-18-13-22-24(37-18)26(33-9-11-36-12-10-33)30-25(29-22)19-3-2-4-21-20(19)14-27-31-21/h2-4,13-14,17H,5-12,15-16H2,1H3,(H,27,31)(H,28,34) |
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| InChIKey | PFMHKGCDXQRPJA-UHFFFAOYSA-N |
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| XLogP | 2.80 |
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| TPSA | 108.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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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 | 521.65 |
| LogP ≤ 5 | 2.80 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide (CID 155533070) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is PFMHKGCDXQRPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3S/c1-35-16-23(34)28-17-5-7-32(8-6-17)15-18-13-22-24(37-18)26(33-9-11-36-12-10-33)30-25(29-22)19-3-2-4-21-20(19)14-27-31-21/h2-4,13-14,17H,5-12,15-16H2,1H3,(H,27,31)(H,28,34).
What are the key properties of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 521.65 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 155533070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).