About 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645599) has the molecular formula C23H20F6N8
and a molecular weight of 522.46 g/mol. Its IUPAC name is 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
Molecular Properties
| Compound Name | 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine |
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| PubChem CID | 58645599 |
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| Molecular Formula | C23H20F6N8 |
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| Molecular Weight | 522.46 g/mol |
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| Exact Mass | 522.17 |
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| IUPAC Name | 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine |
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| SMILES | CCN(c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1)C(C)C |
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| InChI | InChI=1S/C23H20F6N8/c1-4-37(12(2)3)18-9-14(23(27,28)29)19(36-35-18)16-11-32-20-15(7-8-30-21(20)34-16)33-17-6-5-13(10-31-17)22(24,25)26/h5-12H,4H2,1-3H3,(H,30,31,33,34) |
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| InChIKey | JWJQMPJCYHHFOT-UHFFFAOYSA-N |
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| XLogP | 5.89 |
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| TPSA | 92.61 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 522.46 |
| LogP ≤ 5 | 5.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645599) is 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCN(c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1)C(C)C.
What is the InChIKey of 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is JWJQMPJCYHHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N8/c1-4-37(12(2)3)18-9-14(23(27,28)29)19(36-35-18)16-11-32-20-15(7-8-30-21(20)34-16)33-17-6-5-13(10-31-17)22(24,25)26/h5-12H,4H2,1-3H3,(H,30,31,33,34).
What are the key properties of 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 522.46 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).