About N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428439) has the molecular formula C24H31FN6O4S2
and a molecular weight of 550.68 g/mol. Its IUPAC name is N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide |
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| PubChem CID | 122428439 |
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| Molecular Formula | C24H31FN6O4S2 |
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| Molecular Weight | 550.68 g/mol |
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| Exact Mass | 550.18 |
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| IUPAC Name | N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide |
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| SMILES | COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(F)CC4)c(C)sc23)cc1NS(C)(=O)=O |
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| InChI | InChI=1S/C24H31FN6O4S2/c1-15-18(14-30-6-4-17(25)5-7-30)21-22(36-15)20(27-24(28-21)31-8-10-35-11-9-31)16-12-19(29-37(3,32)33)23(34-2)26-13-16/h12-13,17,29H,4-11,14H2,1-3H3 |
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| InChIKey | PEXJBAZNEYLQAT-UHFFFAOYSA-N |
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| XLogP | 3.21 |
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| TPSA | 109.78 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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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 | 550.68 |
| LogP ≤ 5 | 3.21 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428439) is N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(F)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is PEXJBAZNEYLQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O4S2/c1-15-18(14-30-6-4-17(25)5-7-30)21-22(36-15)20(27-24(28-21)31-8-10-35-11-9-31)16-12-19(29-37(3,32)33)23(34-2)26-13-16/h12-13,17,29H,4-11,14H2,1-3H3.
What are the key properties of N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 550.68 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).