5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C134H177FN42O6 — CID 159538325

IUPAC5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.[2H]C([2H])([2H])n1cc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C23H30FN7O.2C23H31N7O.2C22H29N7O.C21H27N7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24;2*1-22(2)10-17(11-23(3,4)28-22)30(6)21-24-13-19(26-27-21)18-8-7-15(9-20(18)31)16-12-25-29(5)14-16;1-21(2)12-16(13-22(3,4)27-21)28(5)20-23-14-18(25-26-20)17-8-7-15(11-19(17)30)29-10-6-9-24-29;1-21(2)9-16(10-22(3,4)28-21)29(5)20-23-13-18(26-27-20)17-7-6-14(8-19(17)30)15-11-24-25-12-15;1-20(2)8-15(9-21(3,4)28-20)25-19-22-12-17(26-27-19)16-6-5-13(7-18(16)29)14-10-23-24-11-14/h7-9,12-13,15,29,32H,10-11H2,1-6H3;2*7-9,12-14,17,28,31H,10-11H2,1-6H3;6-11,14,16,27,30H,12-13H2,1-5H3;6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,24,25);5-7,10-12,15,28-29H,8-9H2,1-4H3,(H,23,24)(H,22,25,27)/i;5D3;;;;
InChIKeyMDWLUYPDTZBGBY-QQFTZXBMSA-N
MW2494.19 g/mol
LogP20.22
Rot. Bonds25

About 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 159538325) has the molecular formula C134H177FN42O6 and a molecular weight of 2494.19 g/mol. Its IUPAC name is 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID159538325
Molecular FormulaC134H177FN42O6
Molecular Weight2494.19 g/mol
Exact Mass2492.50
IUPAC Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.[2H]C([2H])([2H])n1cc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C23H30FN7O.2C23H31N7O.2C22H29N7O.C21H27N7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24;2*1-22(2)10-17(11-23(3,4)28-22)30(6)21-24-13-19(26-27-21)18-8-7-15(9-20(18)31)16-12-25-29(5)14-16;1-21(2)12-16(13-22(3,4)27-21)28(5)20-23-14-18(25-26-20)17-8-7-15(11-19(17)30)29-10-6-9-24-29;1-21(2)9-16(10-22(3,4)28-21)29(5)20-23-13-18(26-27-20)17-7-6-14(8-19(17)30)15-11-24-25-12-15;1-20(2)8-15(9-21(3,4)28-20)25-19-22-12-17(26-27-19)16-6-5-13(7-18(16)29)14-10-23-24-11-14/h7-9,12-13,15,29,32H,10-11H2,1-6H3;2*7-9,12-14,17,28,31H,10-11H2,1-6H3;6-11,14,16,27,30H,12-13H2,1-5H3;6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,24,25);5-7,10-12,15,28-29H,8-9H2,1-4H3,(H,23,24)(H,22,25,27)/i;5D3;;;;
InChIKeyMDWLUYPDTZBGBY-QQFTZXBMSA-N
XLogP20.22
TPSA582.45 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.19
LogP ≤ 520.22
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Analyze 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-fluoro-1-[5-[6-[4-(5-fluoro-1H-pyrazol-4-yl)-2-hydroxyphenyl]-1,2,4-triazin-3-yl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-2-yl]pyrazol-4-yl]-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol
CID 156042562
2-[3-[[(3S)-3-fluoro-2-[2-[5-[3-hydroxy-4-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenyl]tetrazol-2-yl]ethyl]-2,6,6-trimethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol
CID 156042565
5-(2-Methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol
CID 158056631
5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]pyridin-3-ol;5-(1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]pyridin-3-ol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
CID 160256572
2-[3-[3-[(3,3-difluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 160665243
2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol
CID 163463295
2-[3-[(3-aminocyclobutyl)-methylamino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[2-azaspiro[3.3]heptan-6-yl(methyl)amino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]-methylamino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(4S)-azepan-4-yl]-methylamino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(4R)-3,3-difluoropiperidin-4-yl]-methylamino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol
CID 163612722
2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol
CID 163859408
2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol
CID 163968956
5-[2-[[5-[6-[4-(5-fluoro-1H-pyrazol-4-yl)-2-hydroxyphenyl]-1,2,4-triazin-3-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]methyl]triazolo[1,5-a]pyridin-2-ium-5-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170256714
5-[2-[[4-[[6-[4-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxyphenyl]-1,2,4-triazin-3-yl]-methylamino]-2,6,6-trimethylpiperidin-2-yl]methyl]tetrazolo[1,5-a]pyridin-4-ium-7-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170256715
CID 172917200
CID 172917200

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 159538325) is 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.[2H]C([2H])([2H])n1cc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.
What is the InChIKey of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is MDWLUYPDTZBGBY-QQFTZXBMSA-N. The full InChI is InChI=1S/C23H30FN7O.2C23H31N7O.2C22H29N7O.C21H27N7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24;2*1-22(2)10-17(11-23(3,4)28-22)30(6)21-24-13-19(26-27-21)18-8-7-15(9-20(18)31)16-12-25-29(5)14-16;1-21(2)12-16(13-22(3,4)27-21)28(5)20-23-14-18(25-26-20)17-8-7-15(11-19(17)30)29-10-6-9-24-29;1-21(2)9-16(10-22(3,4)28-21)29(5)20-23-13-18(26-27-20)17-7-6-14(8-19(17)30)15-11-24-25-12-15;1-20(2)8-15(9-21(3,4)28-20)25-19-22-12-17(26-27-19)16-6-5-13(7-18(16)29)14-10-23-24-11-14/h7-9,12-13,15,29,32H,10-11H2,1-6H3;2*7-9,12-14,17,28,31H,10-11H2,1-6H3;6-11,14,16,27,30H,12-13H2,1-5H3;6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,24,25);5-7,10-12,15,28-29H,8-9H2,1-4H3,(H,23,24)(H,22,25,27)/i;5D3;;;;.
What are the key properties of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 2494.19 g/mol, XLogP of 20.22, 25 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(1-methylpyrazol-4-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-pyrazol-1-ylphenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol;5-(1H-pyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 159538325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).