About 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122609290) has the molecular formula C27H20F4N6O2
and a molecular weight of 536.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide |
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| PubChem CID | 122609290 |
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| Molecular Formula | C27H20F4N6O2 |
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| Molecular Weight | 536.49 g/mol |
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| Exact Mass | 536.16 |
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| IUPAC Name | 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-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(-c3ccccc3)ncn12 |
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| InChI | InChI=1S/C27H20F4N6O2/c1-26(2,39)20-13-34-24-22(21(35-14-37(20)24)15-7-4-3-5-8-15)36-25(38)17-11-16(23-32-9-6-10-33-23)18(12-19(17)28)27(29,30)31/h3-14,39H,1-2H3,(H,36,38) |
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| InChIKey | AQZRCJYRNSNDMX-UHFFFAOYSA-N |
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| XLogP | 5.49 |
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| TPSA | 105.30 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 536.49 |
| LogP ≤ 5 | 5.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122609290) is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-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(-c3ccccc3)ncn12.
What is the InChIKey of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is AQZRCJYRNSNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N6O2/c1-26(2,39)20-13-34-24-22(21(35-14-37(20)24)15-7-4-3-5-8-15)36-25(38)17-11-16(23-32-9-6-10-33-23)18(12-19(17)28)27(29,30)31/h3-14,39H,1-2H3,(H,36,38).
What are the key properties of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 536.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).