5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol
C75H90FN21O3 — CID 159475927
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol
SMILESCN(c1cnc(-c2ccc(-c3ccncc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cc(F)c4[nH]ncc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3ncc4ccncc43)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H30FN7O.C25H30N8O.C24H30N6O/c1-25(2)11-18(12-26(3,4)33-25)34(5)24-28-14-21(30-32-24)19-7-6-15(10-22(19)35)16-8-17-13-29-31-23(17)20(27)9-16;1-24(2)11-18(12-25(3,4)31-24)32(5)23-27-14-20(29-30-23)19-7-6-17(10-22(19)34)33-21-15-26-9-8-16(21)13-28-33;1-23(2)13-18(14-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-7-6-17(12-20(19)31)16-8-10-25-11-9-16/h6-10,13-14,18,33,35H,11-12H2,1-5H3,(H,29,31);6-10,13-15,18,31,34H,11-12H2,1-5H3;6-12,15,18,29,31H,13-14H2,1-5H3
InChIKeyLWJNZHPSWRUVHQ-UHFFFAOYSA-N
MW1352.69 g/mol
LogP12.45
Rot. Bonds12
About 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol
5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol (PubChem CID 159475927) has the molecular formula C75H90FN21O3 and a molecular weight of 1352.69 g/mol. Its IUPAC name is 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol.
Molecular Properties
| Compound Name | 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol |
|---|---|
| PubChem CID | 159475927 |
| Molecular Formula | C75H90FN21O3 |
| Molecular Weight | 1352.69 g/mol |
| Exact Mass | 1351.75 |
| IUPAC Name | 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol |
| SMILES | CN(c1cnc(-c2ccc(-c3ccncc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cc(F)c4[nH]ncc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3ncc4ccncc43)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 |
| InChI | InChI=1S/C26H30FN7O.C25H30N8O.C24H30N6O/c1-25(2)11-18(12-26(3,4)33-25)34(5)24-28-14-21(30-32-24)19-7-6-15(10-22(19)35)16-8-17-13-29-31-23(17)20(27)9-16;1-24(2)11-18(12-25(3,4)31-24)32(5)23-27-14-20(29-30-23)19-7-6-17(10-22(19)34)33-21-15-26-9-8-16(21)13-28-33;1-23(2)13-18(14-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-7-6-17(12-20(19)31)16-8-10-25-11-9-16/h6-10,13-14,18,33,35H,11-12H2,1-5H3,(H,29,31);6-10,13-15,18,31,34H,11-12H2,1-5H3;6-12,15,18,29,31H,13-14H2,1-5H3 |
| InChIKey | LWJNZHPSWRUVHQ-UHFFFAOYSA-N |
| XLogP | 12.45 |
| TPSA | 294.79 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 100 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1352.69 |
| LogP ≤ 5 | 12.45 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol?
The IUPAC name of 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol (CID 159475927) is 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol.
What is the SMILES notation for 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol?
The canonical SMILES for 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol is CN(c1cnc(-c2ccc(-c3ccncc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cc(F)c4[nH]ncc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3ncc4ccncc43)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol?
The InChIKey is LWJNZHPSWRUVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O.C25H30N8O.C24H30N6O/c1-25(2)11-18(12-26(3,4)33-25)34(5)24-28-14-21(30-32-24)19-7-6-15(10-22(19)35)16-8-17-13-29-31-23(17)20(27)9-16;1-24(2)11-18(12-25(3,4)31-24)32(5)23-27-14-20(29-30-23)19-7-6-17(10-22(19)34)33-21-15-26-9-8-16(21)13-28-33;1-23(2)13-18(14-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-7-6-17(12-20(19)31)16-8-10-25-11-9-16/h6-10,13-14,18,33,35H,11-12H2,1-5H3,(H,29,31);6-10,13-15,18,31,34H,11-12H2,1-5H3;6-12,15,18,29,31H,13-14H2,1-5H3.
What are the key properties of 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol?
5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol has a molecular weight of 1352.69 g/mol, XLogP of 12.45, 12 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol is sourced from PubChem (CID 159475927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159475927 — identifiers, structure, computed properties (public domain)
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