About N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 155535520) has the molecular formula C26H32N6O3S2
and a molecular weight of 540.72 g/mol. Its IUPAC name is N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide.
Molecular Properties
| Compound Name | N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide |
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| PubChem CID | 155535520 |
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| Molecular Formula | C26H32N6O3S2 |
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| Molecular Weight | 540.72 g/mol |
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| Exact Mass | 540.20 |
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| IUPAC Name | N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide |
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| SMILES | CN(C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1)S(C)(=O)=O |
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| InChI | InChI=1S/C26H32N6O3S2/c1-30(37(2,33)34)18-7-10-31(11-8-18)17-19-16-23-24(36-19)26(32-12-14-35-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3 |
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| InChIKey | MZQZXAIMFGEKBD-UHFFFAOYSA-N |
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| XLogP | 3.53 |
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| TPSA | 94.66 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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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 | 540.72 |
| LogP ≤ 5 | 3.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 155535520) is N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is MZQZXAIMFGEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S2/c1-30(37(2,33)34)18-7-10-31(11-8-18)17-19-16-23-24(36-19)26(32-12-14-35-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3.
What are the key properties of N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 540.72 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 155535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).