About 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320421) has the molecular formula C24H28N8O3
and a molecular weight of 476.54 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one.
Molecular Properties
| Compound Name | 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one |
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| PubChem CID | 70320421 |
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| Molecular Formula | C24H28N8O3 |
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| Molecular Weight | 476.54 g/mol |
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| Exact Mass | 476.23 |
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| IUPAC Name | 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one |
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| SMILES | CCCOCCn1c(=O)c(NCCNc2ncccn2)nc2ncc(-c3ccc(OC)nc3)cc21 |
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| InChI | InChI=1S/C24H28N8O3/c1-3-12-35-13-11-32-19-14-18(17-5-6-20(34-2)29-15-17)16-30-21(19)31-22(23(32)33)25-9-10-28-24-26-7-4-8-27-24/h4-8,14-16H,3,9-13H2,1-2H3,(H,25,30,31)(H,26,27,28) |
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| InChIKey | QMPZIMDWZMCHCE-UHFFFAOYSA-N |
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| XLogP | 2.60 |
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| TPSA | 128.97 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 476.54 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one (CID 70320421) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCNc2ncccn2)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?
The InChIKey is QMPZIMDWZMCHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3/c1-3-12-35-13-11-32-19-14-18(17-5-6-20(34-2)29-15-17)16-30-21(19)31-22(23(32)33)25-9-10-28-24-26-7-4-8-27-24/h4-8,14-16H,3,9-13H2,1-2H3,(H,25,30,31)(H,26,27,28).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one has a molecular weight of 476.54 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).