About 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177377969) has the molecular formula C28H24F3N5O2
and a molecular weight of 519.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| PubChem CID | 177377969 |
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| Molecular Formula | C28H24F3N5O2 |
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| Molecular Weight | 519.53 g/mol |
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| Exact Mass | 519.19 |
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| IUPAC Name | 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| SMILES | COc1ccccc1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1 |
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| InChI | InChI=1S/C28H24F3N5O2/c1-17(2)35-16-23(28(29,30)31)33-26(35)19-10-8-18(9-11-19)15-36-24(37)13-12-20-14-32-25(34-27(20)36)21-6-4-5-7-22(21)38-3/h4-14,16-17H,15H2,1-3H3 |
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| InChIKey | RNGZMNNDDVNYJZ-UHFFFAOYSA-N |
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| XLogP | 5.98 |
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| TPSA | 74.83 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 519.53 |
| LogP ≤ 5 | 5.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 177377969) is 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ccccc1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RNGZMNNDDVNYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-17(2)35-16-23(28(29,30)31)33-26(35)19-10-8-18(9-11-19)15-36-24(37)13-12-20-14-32-25(34-27(20)36)21-6-4-5-7-22(21)38-3/h4-14,16-17H,15H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 519.53 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177377969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).