About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707736) has the molecular formula C28H21F3N6O2
and a molecular weight of 530.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| PubChem CID | 170707736 |
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| Molecular Formula | C28H21F3N6O2 |
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| Molecular Weight | 530.51 g/mol |
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| Exact Mass | 530.17 |
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| IUPAC Name | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| SMILES | COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4cccc(C(F)(F)F)n4)cc3)c2n1 |
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| InChI | InChI=1S/C28H21F3N6O2/c1-39-27-23(24(18-9-10-18)33-15-34-27)25-32-13-19-11-12-22(38)37(26(19)36-25)14-16-5-7-17(8-6-16)20-3-2-4-21(35-20)28(29,30)31/h2-8,11-13,15,18H,9-10,14H2,1H3 |
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| InChIKey | QLICYNOLYRGEQS-UHFFFAOYSA-N |
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| XLogP | 5.26 |
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| TPSA | 95.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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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 | 530.51 |
| LogP ≤ 5 | 5.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170707736) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4cccc(C(F)(F)F)n4)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QLICYNOLYRGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O2/c1-39-27-23(24(18-9-10-18)33-15-34-27)25-32-13-19-11-12-22(38)37(26(19)36-25)14-16-5-7-17(8-6-16)20-3-2-4-21(35-20)28(29,30)31/h2-8,11-13,15,18H,9-10,14H2,1H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 530.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).