About 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122609196) has the molecular formula C28H20F5N5O2
and a molecular weight of 553.49 g/mol. Its IUPAC name is 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide |
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| PubChem CID | 122609196 |
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| Molecular Formula | C28H20F5N5O2 |
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| Molecular Weight | 553.49 g/mol |
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| Exact Mass | 553.15 |
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| IUPAC Name | 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide |
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| SMILES | CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccc(F)cc3)ccn12 |
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| InChI | InChI=1S/C28H20F5N5O2/c1-27(2,40)22-14-36-25-23(17(8-11-38(22)25)15-4-6-16(29)7-5-15)37-26(39)19-12-18(24-34-9-3-10-35-24)20(13-21(19)30)28(31,32)33/h3-14,40H,1-2H3,(H,37,39) |
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| InChIKey | ARISTZBMFJYXHS-UHFFFAOYSA-N |
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| XLogP | 6.24 |
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| TPSA | 92.41 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 553.49 |
| LogP ≤ 5 | 6.24 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122609196) is 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccc(F)cc3)ccn12.
What is the InChIKey of 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is ARISTZBMFJYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F5N5O2/c1-27(2,40)22-14-36-25-23(17(8-11-38(22)25)15-4-6-16(29)7-5-15)37-26(39)19-12-18(24-34-9-3-10-35-24)20(13-21(19)30)28(31,32)33/h3-14,40H,1-2H3,(H,37,39).
What are the key properties of 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 553.49 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).