2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol

C123H149F2N43O6 — CID 158210131

IUPAC2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4nnn(C)n4)cc3O)nn2)C1.CC(C)NC1CCN(c2ncc(-c3ccc(-n4nccn4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)C1.Cn1ccc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc21
InChIInChI=1S/C26H30FN7O.C22H28FN7O.C20H24N6O.C19H22N6O.C18H23N9O.C18H22N8O/c1-25(2)12-19(23(27)26(3,4)33-25)30-24-28-14-20(31-32-24)18-8-6-16(11-22(18)35)15-7-9-21-17(10-15)13-29-34(21)5;1-21(2)11-16(19(23)22(3,4)29-21)25-20-24-12-17(26-27-20)14-7-6-13(10-18(14)31)15-8-9-30(5)28-15;1-13-6-14(2)11-26(10-13)20-21-9-18(23-24-20)17-5-4-15(7-19(17)27)16-8-22-25(3)12-16;1-12-5-13(2)11-25(10-12)19-20-9-17(23-24-19)16-4-3-14(6-18(16)26)15-7-21-22-8-15;1-11(2)20-13-6-7-27(10-13)18-19-9-15(21-23-18)14-5-4-12(8-16(14)28)17-22-25-26(3)24-17;1-12(2)22-13-5-8-25(11-13)18-19-10-16(23-24-18)15-4-3-14(9-17(15)27)26-20-6-7-21-26/h6-11,13-14,19,23,33,35H,12H2,1-5H3,(H,28,30,32);6-10,12,16,19,29,31H,11H2,1-5H3,(H,24,25,27);4-5,7-9,12-14,27H,6,10-11H2,1-3H3;3-4,6-9,12-13,26H,5,10-11H2,1-2H3,(H,21,22);4-5,8-9,11,13,20,28H,6-7,10H2,1-3H3;3-4,6-7,9-10,12-13,22,27H,5,8,11H2,1-2H3/t19?,23-;16?,19-;;;;/m00..../s1
InChIKeyGBYXRSQYXMYFLZ-DDIVFEEHSA-N
MW2363.84 g/mol
LogP16.44
Rot. Bonds24

About 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol

2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol (PubChem CID 158210131) has the molecular formula C123H149F2N43O6 and a molecular weight of 2363.84 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
PubChem CID158210131
Molecular FormulaC123H149F2N43O6
Molecular Weight2363.84 g/mol
Exact Mass2362.26
IUPAC Name2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4nnn(C)n4)cc3O)nn2)C1.CC(C)NC1CCN(c2ncc(-c3ccc(-n4nccn4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)C1.Cn1ccc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc21
InChIInChI=1S/C26H30FN7O.C22H28FN7O.C20H24N6O.C19H22N6O.C18H23N9O.C18H22N8O/c1-25(2)12-19(23(27)26(3,4)33-25)30-24-28-14-20(31-32-24)18-8-6-16(11-22(18)35)15-7-9-21-17(10-15)13-29-34(21)5;1-21(2)11-16(19(23)22(3,4)29-21)25-20-24-12-17(26-27-20)14-7-6-13(10-18(14)31)15-8-9-30(5)28-15;1-13-6-14(2)11-26(10-13)20-21-9-18(23-24-20)17-5-4-15(7-19(17)27)16-8-22-25(3)12-16;1-12-5-13(2)11-25(10-12)19-20-9-17(23-24-19)16-4-3-14(6-18(16)26)15-7-21-22-8-15;1-11(2)20-13-6-7-27(10-13)18-19-9-15(21-23-18)14-5-4-12(8-16(14)28)17-22-25-26(3)24-17;1-12(2)22-13-5-8-25(11-13)18-19-10-16(23-24-18)15-4-3-14(9-17(15)27)26-20-6-7-21-26/h6-11,13-14,19,23,33,35H,12H2,1-5H3,(H,28,30,32);6-10,12,16,19,29,31H,11H2,1-5H3,(H,24,25,27);4-5,7-9,12-14,27H,6,10-11H2,1-3H3;3-4,6-9,12-13,26H,5,10-11H2,1-2H3,(H,21,22);4-5,8-9,11,13,20,28H,6-7,10H2,1-3H3;3-4,6-7,9-10,12-13,22,27H,5,8,11H2,1-2H3/t19?,23-;16?,19-;;;;/m00..../s1
InChIKeyGBYXRSQYXMYFLZ-DDIVFEEHSA-N
XLogP16.44
TPSA594.99 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002363.84
LogP ≤ 516.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol with MolForge

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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
CID 158045216
CID 158045216
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-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
CID 158898437
CID 159341446
CID 159341446
[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-lambda6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-lambda6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
CID 159612349
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
[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-lambda6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160542122
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
CID 160883380
CID 160883380
CID 160897951
CID 160897951

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?
The IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol (CID 158210131) is 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol.
What is the SMILES notation for 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?
The canonical SMILES for 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol is CC(C)NC1CCN(c2ncc(-c3ccc(-c4nnn(C)n4)cc3O)nn2)C1.CC(C)NC1CCN(c2ncc(-c3ccc(-n4nccn4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.CC1CC(C)CN(c2ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)C1.Cn1ccc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc21.
What is the InChIKey of 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?
The InChIKey is GBYXRSQYXMYFLZ-DDIVFEEHSA-N. The full InChI is InChI=1S/C26H30FN7O.C22H28FN7O.C20H24N6O.C19H22N6O.C18H23N9O.C18H22N8O/c1-25(2)12-19(23(27)26(3,4)33-25)30-24-28-14-20(31-32-24)18-8-6-16(11-22(18)35)15-7-9-21-17(10-15)13-29-34(21)5;1-21(2)11-16(19(23)22(3,4)29-21)25-20-24-12-17(26-27-20)14-7-6-13(10-18(14)31)15-8-9-30(5)28-15;1-13-6-14(2)11-26(10-13)20-21-9-18(23-24-20)17-5-4-15(7-19(17)27)16-8-22-25(3)12-16;1-12-5-13(2)11-25(10-12)19-20-9-17(23-24-19)16-4-3-14(6-18(16)26)15-7-21-22-8-15;1-11(2)20-13-6-7-27(10-13)18-19-9-15(21-23-18)14-5-4-12(8-16(14)28)17-22-25-26(3)24-17;1-12(2)22-13-5-8-25(11-13)18-19-10-16(23-24-18)15-4-3-14(9-17(15)27)26-20-6-7-21-26/h6-11,13-14,19,23,33,35H,12H2,1-5H3,(H,28,30,32);6-10,12,16,19,29,31H,11H2,1-5H3,(H,24,25,27);4-5,7-9,12-14,27H,6,10-11H2,1-3H3;3-4,6-9,12-13,26H,5,10-11H2,1-2H3,(H,21,22);4-5,8-9,11,13,20,28H,6-7,10H2,1-3H3;3-4,6-7,9-10,12-13,22,27H,5,8,11H2,1-2H3/t19?,23-;16?,19-;;;;/m00..../s1.
What are the key properties of 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?
2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol has a molecular weight of 2363.84 g/mol, XLogP of 16.44, 24 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-(3,5-dimethylpiperidin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;5-(2-methyltetrazol-5-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol is sourced from PubChem (CID 158210131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).