About N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 155550309) has the molecular formula C25H29N7O3S
and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-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]pyrrolidin-3-yl]-2-methoxyacetamide |
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| PubChem CID | 155550309 |
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| Molecular Formula | C25H29N7O3S |
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| Molecular Weight | 507.62 g/mol |
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| Exact Mass | 507.21 |
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| IUPAC Name | N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide |
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| SMILES | COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1 |
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| InChI | InChI=1S/C25H29N7O3S/c1-34-15-22(33)27-16-5-6-31(13-16)14-17-11-21-23(36-17)25(32-7-9-35-10-8-32)29-24(28-21)18-3-2-4-20-19(18)12-26-30-20/h2-4,11-12,16H,5-10,13-15H2,1H3,(H,26,30)(H,27,33) |
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| InChIKey | WEKYZMZHCGOHMF-UHFFFAOYSA-N |
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| XLogP | 2.41 |
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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 | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 507.62 |
| LogP ≤ 5 | 2.41 |
| 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]pyrrolidin-3-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]pyrrolidin-3-yl]-2-methoxyacetamide (CID 155550309) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-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]pyrrolidin-3-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]pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is WEKYZMZHCGOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-34-15-22(33)27-16-5-6-31(13-16)14-17-11-21-23(36-17)25(32-7-9-35-10-8-32)29-24(28-21)18-3-2-4-20-19(18)12-26-30-20/h2-4,11-12,16H,5-10,13-15H2,1H3,(H,26,30)(H,27,33).
What are the key properties of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 507.62 g/mol, XLogP of 2.41, 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]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 155550309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).