About 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine
2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine (PubChem CID 118364784) has the molecular formula C29H33N11O3
and a molecular weight of 583.66 g/mol. Its IUPAC name is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine.
Molecular Properties
| Compound Name | 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine |
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| PubChem CID | 118364784 |
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| Molecular Formula | C29H33N11O3 |
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| Molecular Weight | 583.66 g/mol |
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| Exact Mass | 583.28 |
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| IUPAC Name | 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine |
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| SMILES | Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(OCCN7CCOCC7)cc6)cn5)CCO4)c3n2)cn1 |
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| InChI | InChI=1S/C29H33N11O3/c1-37-18-23(16-33-37)26-17-30-27-28(34-26)40(36-35-27)20-25-19-39(9-13-43-25)29-31-14-22(15-32-29)21-2-4-24(5-3-21)42-12-8-38-6-10-41-11-7-38/h2-5,14-18,25H,6-13,19-20H2,1H3 |
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| InChIKey | OQBRRYVDBVQYMZ-UHFFFAOYSA-N |
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| XLogP | 1.70 |
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| TPSA | 134.26 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 583.66 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Analyze 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine (CID 118364784) is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine is Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(OCCN7CCOCC7)cc6)cn5)CCO4)c3n2)cn1.
What is the InChIKey of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine?
The InChIKey is OQBRRYVDBVQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N11O3/c1-37-18-23(16-33-37)26-17-30-27-28(34-26)40(36-35-27)20-25-19-39(9-13-43-25)29-31-14-22(15-32-29)21-2-4-24(5-3-21)42-12-8-38-6-10-41-11-7-38/h2-5,14-18,25H,6-13,19-20H2,1H3.
What are the key properties of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine?
2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine has a molecular weight of 583.66 g/mol, XLogP of 1.70, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 118364784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).