About [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone (PubChem CID 164921651) has the molecular formula C23H21F4N7O2
and a molecular weight of 503.46 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone |
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| PubChem CID | 164921651 |
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| Molecular Formula | C23H21F4N7O2 |
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| Molecular Weight | 503.46 g/mol |
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| Exact Mass | 503.17 |
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| IUPAC Name | [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone |
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| SMILES | Cn1cc(-c2nc3ncc(F)c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c3[nH]2)cn1 |
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| InChI | InChI=1S/C23H21F4N7O2/c1-33-11-13(9-30-33)20-31-19-18(16(24)10-29-21(19)32-20)12-4-6-34(7-5-12)22(35)15-3-2-14(8-17(15)28)36-23(25,26)27/h2-3,8-12H,4-7,28H2,1H3,(H,29,31,32) |
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| InChIKey | DECVYYKTGGOHLM-UHFFFAOYSA-N |
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| XLogP | 4.00 |
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| TPSA | 114.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 503.46 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Analyze [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone (CID 164921651) is [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone is Cn1cc(-c2nc3ncc(F)c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c3[nH]2)cn1.
What is the InChIKey of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The InChIKey is DECVYYKTGGOHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N7O2/c1-33-11-13(9-30-33)20-31-19-18(16(24)10-29-21(19)32-20)12-4-6-34(7-5-12)22(35)15-3-2-14(8-17(15)28)36-23(25,26)27/h2-3,8-12H,4-7,28H2,1H3,(H,29,31,32).
What are the key properties of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone has a molecular weight of 503.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 164921651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).