About 2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177377977) has the molecular formula C28H23F4N5O2
and a molecular weight of 537.52 g/mol. Its IUPAC name is 2-(2-fluoro-6-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-fluoro-6-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 | 177377977 |
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| Molecular Formula | C28H23F4N5O2 |
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| Molecular Weight | 537.52 g/mol |
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| Exact Mass | 537.18 |
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| IUPAC Name | 2-(2-fluoro-6-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 | COc1cccc(F)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1 |
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| InChI | InChI=1S/C28H23F4N5O2/c1-16(2)36-15-22(28(30,31)32)34-26(36)18-9-7-17(8-10-18)14-37-23(38)12-11-19-13-33-25(35-27(19)37)24-20(29)5-4-6-21(24)39-3/h4-13,15-16H,14H2,1-3H3 |
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| InChIKey | CKWBMDPUPBWUGR-UHFFFAOYSA-N |
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| XLogP | 6.12 |
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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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 537.52 |
| LogP ≤ 5 | 6.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(2-fluoro-6-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-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 177377977) is 2-(2-fluoro-6-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-fluoro-6-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-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1cccc(F)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CKWBMDPUPBWUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4N5O2/c1-16(2)36-15-22(28(30,31)32)34-26(36)18-9-7-17(8-10-18)14-37-23(38)12-11-19-13-33-25(35-27(19)37)24-20(29)5-4-6-21(24)39-3/h4-13,15-16H,14H2,1-3H3.
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(2-fluoro-6-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 537.52 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-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 177377977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).