About [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone (PubChem CID 146469007) has the molecular formula C23H19FN6O2
and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone.
Molecular Properties
| Compound Name | [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone |
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| PubChem CID | 146469007 |
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| Molecular Formula | C23H19FN6O2 |
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| Molecular Weight | 430.44 g/mol |
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| Exact Mass | 430.16 |
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| IUPAC Name | [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone |
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| SMILES | Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CN(C(=O)c1cccnc1)C2 |
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| InChI | InChI=1S/C23H19FN6O2/c1-15-21(30(28-27-15)19-7-5-18(24)6-8-19)14-32-22-9-4-17-12-29(13-20(17)26-22)23(31)16-3-2-10-25-11-16/h2-11H,12-14H2,1H3 |
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| InChIKey | LYERYHQKKTTXPJ-UHFFFAOYSA-N |
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| XLogP | 3.24 |
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| TPSA | 86.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 430.44 |
| LogP ≤ 5 | 3.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone (CID 146469007) is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CN(C(=O)c1cccnc1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone?
The InChIKey is LYERYHQKKTTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-15-21(30(28-27-15)19-7-5-18(24)6-8-19)14-32-22-9-4-17-12-29(13-20(17)26-22)23(31)16-3-2-10-25-11-16/h2-11H,12-14H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone?
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone has a molecular weight of 430.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 146469007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).