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

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 Name5-(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 CID159475927
Molecular FormulaC75H90FN21O3
Molecular Weight1352.69 g/mol
Exact Mass1351.75
IUPAC Name5-(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
XLogP12.45
TPSA294.79 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.69
LogP ≤ 512.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

5-(7-Fluoro-2-methylindazol-5-yl)-2-[3-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]phenol
CID 156887537
5-(7-Fluoro-2-methylindazol-5-yl)-2-[3-[3-(hydroxymethyl)piperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887551
US11059818, Example 51
CID 130431154
US11059818, Example 52
CID 130431230
US11059818, Example 38
CID 155120680
2-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-5-ol
CID 166509725
2-[1H-benzimidazol-2-yl-[7-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 166509746
2-[1H-benzimidazol-2-yl-[5-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 166509774
3-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]phenol
CID 68456299
3-[4-amino-1-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320626
3-[4-amino-1-[[4-[N-[2-(dimethylamino)ethyl]-3-hydroxyanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78321885
3-[4-amino-1-[[4-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344958

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).