About 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122609211) has the molecular formula C28H21ClF3N5O2
and a molecular weight of 551.96 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide |
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| PubChem CID | 122609211 |
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| Molecular Formula | C28H21ClF3N5O2 |
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| Molecular Weight | 551.96 g/mol |
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| Exact Mass | 551.13 |
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| IUPAC Name | 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[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)cc3Cl)c(-c3ccccc3)ccn12 |
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| InChI | InChI=1S/C28H21ClF3N5O2/c1-27(2,39)22-15-35-25-23(17(9-12-37(22)25)16-7-4-3-5-8-16)36-26(38)19-13-18(24-33-10-6-11-34-24)20(14-21(19)29)28(30,31)32/h3-15,39H,1-2H3,(H,36,38) |
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| InChIKey | XCKVPKDJTDYFTH-UHFFFAOYSA-N |
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| XLogP | 6.61 |
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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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 551.96 |
| LogP ≤ 5 | 6.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122609211) is 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[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)cc3Cl)c(-c3ccccc3)ccn12.
What is the InChIKey of 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is XCKVPKDJTDYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N5O2/c1-27(2,39)22-15-35-25-23(17(9-12-37(22)25)16-7-4-3-5-8-16)36-26(38)19-13-18(24-33-10-6-11-34-24)20(14-21(19)29)28(30,31)32/h3-15,39H,1-2H3,(H,36,38).
What are the key properties of 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 551.96 g/mol, XLogP of 6.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).