About N-[[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methyl]-2-methoxy-N-methylethanamine
N-[[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 11663793) has the molecular formula C28H37N7O2S
and a molecular weight of 535.72 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]methyl]-2-methoxy-N-methylethanamine.
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]methyl]-2-methoxy-N-methylethanamine |
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| PubChem CID | 11663793 |
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| Molecular Formula | C28H37N7O2S |
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| Molecular Weight | 535.72 g/mol |
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| Exact Mass | 535.27 |
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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]methyl]-2-methoxy-N-methylethanamine |
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| SMILES | COCCN(C)CC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 |
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| InChI | InChI=1S/C28H37N7O2S/c1-33(10-13-36-2)18-20-6-8-34(9-7-20)19-21-16-25-26(38-21)28(35-11-14-37-15-12-35)31-27(30-25)22-4-3-5-24-23(22)17-29-32-24/h3-5,16-17,20H,6-15,18-19H2,1-2H3,(H,29,32) |
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| InChIKey | ANWYJPNULDNFLO-UHFFFAOYSA-N |
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| XLogP | 3.86 |
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| TPSA | 82.64 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 535.72 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methyl]-2-methoxy-N-methylethanamine with MolForge
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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]methyl]-2-methoxy-N-methylethanamine?
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]methyl]-2-methoxy-N-methylethanamine (CID 11663793) is N-[[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methyl]-2-methoxy-N-methylethanamine.
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]methyl]-2-methoxy-N-methylethanamine?
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]methyl]-2-methoxy-N-methylethanamine is COCCN(C)CC1CCN(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]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is ANWYJPNULDNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2S/c1-33(10-13-36-2)18-20-6-8-34(9-7-20)19-21-16-25-26(38-21)28(35-11-14-37-15-12-35)31-27(30-25)22-4-3-5-24-23(22)17-29-32-24/h3-5,16-17,20H,6-15,18-19H2,1-2H3,(H,29,32).
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]methyl]-2-methoxy-N-methylethanamine?
N-[[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 535.72 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 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]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 11663793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).