About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 121249871) has the molecular formula C25H18F4N6O2
and a molecular weight of 510.45 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide.
Molecular Properties
| Compound Name | N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide |
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| PubChem CID | 121249871 |
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| Molecular Formula | C25H18F4N6O2 |
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| Molecular Weight | 510.45 g/mol |
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| Exact Mass | 510.14 |
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| IUPAC Name | N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide |
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| SMILES | Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(OC(F)(F)F)cc5)c(F)c4)c3[nH]2)cn1 |
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| InChI | InChI=1S/C25H18F4N6O2/c1-35-13-17(12-32-35)22-33-21-19(8-9-30-23(21)34-22)15-2-3-16(20(26)10-15)11-31-24(36)14-4-6-18(7-5-14)37-25(27,28)29/h2-10,12-13H,11H2,1H3,(H,31,36)(H,30,33,34) |
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| InChIKey | HBVFTEZRJAHDNL-UHFFFAOYSA-N |
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| XLogP | 4.99 |
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| TPSA | 97.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.45 |
| LogP ≤ 5 | 4.99 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide (CID 121249871) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(OC(F)(F)F)cc5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is HBVFTEZRJAHDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O2/c1-35-13-17(12-32-35)22-33-21-19(8-9-30-23(21)34-22)15-2-3-16(20(26)10-15)11-31-24(36)14-4-6-18(7-5-14)37-25(27,28)29/h2-10,12-13H,11H2,1H3,(H,31,36)(H,30,33,34).
What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 510.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121249871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).