About 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 67410582) has the molecular formula C26H21F2N5O3
and a molecular weight of 489.48 g/mol. Its IUPAC name is 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
Molecular Properties
| Compound Name | 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
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| PubChem CID | 67410582 |
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| Molecular Formula | C26H21F2N5O3 |
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| Molecular Weight | 489.48 g/mol |
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| Exact Mass | 489.16 |
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| IUPAC Name | 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
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| SMILES | Cn1cc(-c2cc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c(F)c3)ccn2)cn1 |
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| InChI | InChI=1S/C26H21F2N5O3/c1-32-15-16(14-31-32)22-13-20(8-11-30-22)36-19-6-7-23(21(28)12-19)33(18-4-2-17(27)3-5-18)25(35)26(9-10-26)24(29)34/h2-8,11-15H,9-10H2,1H3,(H2,29,34) |
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| InChIKey | WELFSAWVZSWWOF-UHFFFAOYSA-N |
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| XLogP | 4.48 |
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| TPSA | 103.34 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 489.48 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 67410582) is 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cn1cc(-c2cc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c(F)c3)ccn2)cn1.
What is the InChIKey of 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WELFSAWVZSWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c1-32-15-16(14-31-32)22-13-20(8-11-30-22)36-19-6-7-23(21(28)12-19)33(18-4-2-17(27)3-5-18)25(35)26(9-10-26)24(29)34/h2-8,11-15H,9-10H2,1H3,(H2,29,34).
What are the key properties of 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 489.48 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 67410582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).