About N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432281) has the molecular formula C25H33N7O4S2
and a molecular weight of 559.72 g/mol. Its IUPAC name is N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide.
Molecular Properties
| Compound Name | N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide |
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| PubChem CID | 122432281 |
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| Molecular Formula | C25H33N7O4S2 |
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| Molecular Weight | 559.72 g/mol |
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| Exact Mass | 559.20 |
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| IUPAC Name | N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide |
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| SMILES | COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C)CC4)csc23)cc1NS(=O)(=O)C1CC1 |
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| InChI | InChI=1S/C25H33N7O4S2/c1-30-5-7-31(8-6-30)15-18-16-37-23-21(27-25(28-22(18)23)32-9-11-36-12-10-32)17-13-20(24(35-2)26-14-17)29-38(33,34)19-3-4-19/h13-14,16,19,29H,3-12,15H2,1-2H3 |
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| InChIKey | NMABVUDJQSQPTC-UHFFFAOYSA-N |
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| XLogP | 2.25 |
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| TPSA | 113.02 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 559.72 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (CID 122432281) is N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C)CC4)csc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is NMABVUDJQSQPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O4S2/c1-30-5-7-31(8-6-30)15-18-16-37-23-21(27-25(28-22(18)23)32-9-11-36-12-10-32)17-13-20(24(35-2)26-14-17)29-38(33,34)19-3-4-19/h13-14,16,19,29H,3-12,15H2,1-2H3.
What are the key properties of N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?
N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 559.72 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).