About 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide
3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 118408747) has the molecular formula C25H17F4N7O2
and a molecular weight of 523.45 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide.
Molecular Properties
| Compound Name | 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide |
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| PubChem CID | 118408747 |
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| Molecular Formula | C25H17F4N7O2 |
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| Molecular Weight | 523.45 g/mol |
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| Exact Mass | 523.14 |
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| IUPAC Name | 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide |
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| SMILES | Cn1ccc(-c2cc(C(=O)Nc3c4ncc(C(N)=O)cc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1 |
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| InChI | InChI=1S/C25H17F4N7O2/c1-35-8-7-19(33-35)15-10-16(18(26)11-17(15)25(27,28)29)24(38)32-23-21-20(9-13(12-31-21)22(30)37)34-36(23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,30,37)(H,32,38) |
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| InChIKey | VETNEPBRBSGTPG-UHFFFAOYSA-N |
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| XLogP | 4.33 |
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| TPSA | 120.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 523.45 |
| LogP ≤ 5 | 4.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 118408747) is 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c4ncc(C(N)=O)cc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is VETNEPBRBSGTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N7O2/c1-35-8-7-19(33-35)15-10-16(18(26)11-17(15)25(27,28)29)24(38)32-23-21-20(9-13(12-31-21)22(30)37)34-36(23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,30,37)(H,32,38).
What are the key properties of 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 523.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 118408747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).