About 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122604111) has the molecular formula C29H22F4N4O2
and a molecular weight of 534.51 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide |
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| PubChem CID | 122604111 |
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| Molecular Formula | C29H22F4N4O2 |
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| Molecular Weight | 534.51 g/mol |
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| Exact Mass | 534.17 |
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| IUPAC Name | 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide |
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| SMILES | CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12 |
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| InChI | InChI=1S/C29H22F4N4O2/c1-28(2,39)24-16-35-26-25(18(11-13-37(24)26)17-8-4-3-5-9-17)36-27(38)20-14-19(23-10-6-7-12-34-23)21(15-22(20)30)29(31,32)33/h3-16,39H,1-2H3,(H,36,38) |
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| InChIKey | OZHTUDPIAGNYSJ-UHFFFAOYSA-N |
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| XLogP | 6.70 |
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| TPSA | 79.52 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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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 | 534.51 |
| LogP ≤ 5 | 6.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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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-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (CID 122604111) is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.
What is the InChIKey of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is OZHTUDPIAGNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N4O2/c1-28(2,39)24-16-35-26-25(18(11-13-37(24)26)17-8-4-3-5-9-17)36-27(38)20-14-19(23-10-6-7-12-34-23)21(15-22(20)30)29(31,32)33/h3-16,39H,1-2H3,(H,36,38).
What are the key properties of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 534.51 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).