2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C139H170F2N44O9 — CID 157247254

IUPAC2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4cn5ccnc5cn4)cc3O)nn2)C1.CC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)[C@H](CO)C(C)(C)N1.CC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)[C@H](F)C(C)(C)N1.CN(c1ncc(-c2ccc(-c3ccc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cn1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4CO)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cnc21
InChIInChI=1S/C27H33N7O.C25H29FN8O.C22H30N8O2.C22H24N8O.C22H29N7O2.C21H25FN6O2/c1-26(2)13-20(14-27(3,4)32-26)33(5)25-28-16-22(30-31-25)21-9-7-18(12-24(21)35)17-8-10-23-19(11-17)15-29-34(23)6;1-24(2)10-18(21(26)25(3,4)33-24)30-23-28-13-19(31-32-23)17-7-6-14(9-20(17)35)15-8-16-12-29-34(5)22(16)27-11-15;1-21(2)9-16(15(12-31)22(3,4)29-21)25-20-23-10-18(26-27-20)14-7-6-13(8-19(14)32)17-11-24-30(5)28-17;1-14(2)26-16-5-7-30(12-16)22-25-10-18(27-28-22)17-4-3-15(9-20(17)31)19-13-29-8-6-23-21(29)11-24-19;1-21(2)8-17(16(12-30)22(3,4)29-21)26-20-23-11-18(27-28-20)15-6-5-13(7-19(15)31)14-9-24-25-10-14;1-20(2)10-14(17(22)21(3,4)28-20)25-19-24-11-15(26-27-19)13-6-5-12(9-16(13)29)18-23-7-8-30-18/h7-12,15-16,20,32,35H,13-14H2,1-6H3;6-9,11-13,18,21,33,35H,10H2,1-5H3,(H,28,30,32);6-8,10-11,15-16,29,31-32H,9,12H2,1-5H3,(H,23,25,27);3-4,6,8-11,13-14,16,26,31H,5,7,12H2,1-2H3;5-7,9-11,16-17,29-31H,8,12H2,1-4H3,(H,24,25)(H,23,26,28);5-9,11,14,17,28-29H,10H2,1-4H3,(H,24,25,27)/t;18?,21-;15-,16?;;16-,17?;14?,17-/m.00.00/s1
InChIKeyAVXSQXBMEZPVNM-KLIGHTEASA-N
MW2639.18 g/mol
LogP19.06
Rot. Bonds27

About 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 157247254) has the molecular formula C139H170F2N44O9 and a molecular weight of 2639.18 g/mol. Its IUPAC name is 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID157247254
Molecular FormulaC139H170F2N44O9
Molecular Weight2639.18 g/mol
Exact Mass2637.42
IUPAC Name2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4cn5ccnc5cn4)cc3O)nn2)C1.CC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)[C@H](CO)C(C)(C)N1.CC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)[C@H](F)C(C)(C)N1.CN(c1ncc(-c2ccc(-c3ccc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cn1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4CO)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cnc21
InChIInChI=1S/C27H33N7O.C25H29FN8O.C22H30N8O2.C22H24N8O.C22H29N7O2.C21H25FN6O2/c1-26(2)13-20(14-27(3,4)32-26)33(5)25-28-16-22(30-31-25)21-9-7-18(12-24(21)35)17-8-10-23-19(11-17)15-29-34(23)6;1-24(2)10-18(21(26)25(3,4)33-24)30-23-28-13-19(31-32-23)17-7-6-14(9-20(17)35)15-8-16-12-29-34(5)22(16)27-11-15;1-21(2)9-16(15(12-31)22(3,4)29-21)25-20-23-10-18(26-27-20)14-7-6-13(8-19(14)32)17-11-24-30(5)28-17;1-14(2)26-16-5-7-30(12-16)22-25-10-18(27-28-22)17-4-3-15(9-20(17)31)19-13-29-8-6-23-21(29)11-24-19;1-21(2)8-17(16(12-30)22(3,4)29-21)26-20-23-11-18(27-28-20)15-6-5-13(7-19(15)31)14-9-24-25-10-14;1-20(2)10-14(17(22)21(3,4)28-20)25-19-24-11-15(26-27-19)13-6-5-12(9-16(13)29)18-23-7-8-30-18/h7-12,15-16,20,32,35H,13-14H2,1-6H3;6-9,11-13,18,21,33,35H,10H2,1-5H3,(H,28,30,32);6-8,10-11,15-16,29,31-32H,9,12H2,1-5H3,(H,23,25,27);3-4,6,8-11,13-14,16,26,31H,5,7,12H2,1-2H3;5-7,9-11,16-17,29-31H,8,12H2,1-4H3,(H,24,25)(H,23,26,28);5-9,11,14,17,28-29H,10H2,1-4H3,(H,24,25,27)/t;18?,21-;15-,16?;;16-,17?;14?,17-/m.00.00/s1
InChIKeyAVXSQXBMEZPVNM-KLIGHTEASA-N
XLogP19.06
TPSA684.78 Ų
H-Bond Donors19
H-Bond Acceptors52
Rotatable Bonds27
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.18
LogP ≤ 519.06
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1052

Analyze 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 157247254) is 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CC(C)NC1CCN(c2ncc(-c3ccc(-c4cn5ccnc5cn4)cc3O)nn2)C1.CC1(C)CC(Nc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)[C@H](CO)C(C)(C)N1.CC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)[C@H](F)C(C)(C)N1.CN(c1ncc(-c2ccc(-c3ccc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cn1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)[C@H]4CO)nn3)c(O)c2)n1.Cn1ncc2cc(-c3ccc(-c4cnc(NC5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cnc21.
What is the InChIKey of 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is AVXSQXBMEZPVNM-KLIGHTEASA-N. The full InChI is InChI=1S/C27H33N7O.C25H29FN8O.C22H30N8O2.C22H24N8O.C22H29N7O2.C21H25FN6O2/c1-26(2)13-20(14-27(3,4)32-26)33(5)25-28-16-22(30-31-25)21-9-7-18(12-24(21)35)17-8-10-23-19(11-17)15-29-34(23)6;1-24(2)10-18(21(26)25(3,4)33-24)30-23-28-13-19(31-32-23)17-7-6-14(9-20(17)35)15-8-16-12-29-34(5)22(16)27-11-15;1-21(2)9-16(15(12-31)22(3,4)29-21)25-20-23-10-18(26-27-20)14-7-6-13(8-19(14)32)17-11-24-30(5)28-17;1-14(2)26-16-5-7-30(12-16)22-25-10-18(27-28-22)17-4-3-15(9-20(17)31)19-13-29-8-6-23-21(29)11-24-19;1-21(2)8-17(16(12-30)22(3,4)29-21)26-20-23-11-18(27-28-20)15-6-5-13(7-19(15)31)14-9-24-25-10-14;1-20(2)10-14(17(22)21(3,4)28-20)25-19-24-11-15(26-27-19)13-6-5-12(9-16(13)29)18-23-7-8-30-18/h7-12,15-16,20,32,35H,13-14H2,1-6H3;6-9,11-13,18,21,33,35H,10H2,1-5H3,(H,28,30,32);6-8,10-11,15-16,29,31-32H,9,12H2,1-5H3,(H,23,25,27);3-4,6,8-11,13-14,16,26,31H,5,7,12H2,1-2H3;5-7,9-11,16-17,29-31H,8,12H2,1-4H3,(H,24,25)(H,23,26,28);5-9,11,14,17,28-29H,10H2,1-4H3,(H,24,25,27)/t;18?,21-;15-,16?;;16-,17?;14?,17-/m.00.00/s1.
What are the key properties of 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 2639.18 g/mol, XLogP of 19.06, 27 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 157247254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).