About 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441581) has the molecular formula C20H20N10O3
and a molecular weight of 448.45 g/mol. Its IUPAC name is 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| PubChem CID | 137441581 |
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| Molecular Formula | C20H20N10O3 |
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| Molecular Weight | 448.45 g/mol |
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| Exact Mass | 448.17 |
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| IUPAC Name | 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| SMILES | CNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(N)=O)cnn12 |
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| InChI | InChI=1S/C20H20N10O3/c1-22-15-7-14(27-18-11(17(21)31)8-25-30(15)18)26-12-5-4-6-29(20(12)33)16-10-23-13(9-24-16)19(32)28(2)3/h4-10,22H,1-3H3,(H2,21,31)(H,26,27) |
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| InChIKey | FWJUEACWFAXIII-UHFFFAOYSA-N |
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| XLogP | 0.26 |
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| TPSA | 165.43 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 448.45 |
| LogP ≤ 5 | 0.26 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441581) is 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FWJUEACWFAXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N10O3/c1-22-15-7-14(27-18-11(17(21)31)8-25-30(15)18)26-12-5-4-6-29(20(12)33)16-10-23-13(9-24-16)19(32)28(2)3/h4-10,22H,1-3H3,(H2,21,31)(H,26,27).
What are the key properties of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).