About [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 46202138) has the molecular formula C24H26N10O2
and a molecular weight of 486.54 g/mol. Its IUPAC name is [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
Molecular Properties
| Compound Name | [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone |
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| PubChem CID | 46202138 |
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| Molecular Formula | C24H26N10O2 |
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| Molecular Weight | 486.54 g/mol |
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| Exact Mass | 486.22 |
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| IUPAC Name | [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone |
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| SMILES | Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)c3ccncc3)CC2)cn1 |
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| InChI | InChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)20-19-15-29-34(21(19)31-24(30-20)33-9-11-36-12-10-33)18-3-7-32(8-4-18)22(35)16-1-5-26-6-2-16/h1-2,5-6,13-15,18H,3-4,7-12H2,(H2,25,27,28) |
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| InChIKey | GPAMGTSQYCJLDS-UHFFFAOYSA-N |
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| XLogP | 1.57 |
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| TPSA | 141.07 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 4 |
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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 | 486.54 |
| LogP ≤ 5 | 1.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 46202138) is [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)c3ccncc3)CC2)cn1.
What is the InChIKey of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GPAMGTSQYCJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)20-19-15-29-34(21(19)31-24(30-20)33-9-11-36-12-10-33)18-3-7-32(8-4-18)22(35)16-1-5-26-6-2-16/h1-2,5-6,13-15,18H,3-4,7-12H2,(H2,25,27,28).
What are the key properties of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 486.54 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46202138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).