5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol

C81H110N28O7S — CID 157257275

About 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol

5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol (PubChem CID 157257275) has the molecular formula C81H110N28O7S and a molecular weight of 1620.03 g/mol. Its IUPAC name is 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol.

Molecular Properties

• Compound Name: 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
• PubChem CID: 157257275
• Molecular Formula: C81H110N28O7S
• Molecular Weight: 1620.03 g/mol
• Exact Mass: 1618.88
• IUPAC Name: 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
• SMILES: CCc1cnn2c(NCc3ccc(=O)n(C)c3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cccnc3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3ccnnc3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CCCC[C@H]3CCO)nc12
• InChI: InChI=1S/C21H29N7O2.C21H28N6O3S.C20H27N7O.C19H26N8O/c1-3-16-13-23-28-19(16)24-21(27-10-5-4-6-17(27)9-11-29)25-20(28)22-12-15-7-8-18(30)26(2)14-15;1-3-15-14-22-27-19(15)24-20(26-12-5-4-6-17(26)11-13-28)25-21(27)23-16-7-9-18(10-8-16)31(2,29)30;1-2-16-14-23-27-18(16)24-20(26-10-4-3-7-17(26)8-11-28)25-19(27)22-13-15-6-5-9-21-12-15;1-2-15-13-23-27-17(15)24-19(26-9-4-3-5-16(26)7-10-28)25-18(27)20-11-14-6-8-21-22-12-14/h7-8,13-14,17,29H,3-6,9-12H2,1-2H3,(H,22,24,25);7-10,14,17,28H,3-6,11-13H2,1-2H3,(H,23,24,25);5-6,9,12,14,17,28H,2-4,7-8,10-11,13H2,1H3,(H,22,24,25);6,8,12-13,16,28H,2-5,7,9-11H2,1H3,(H,20,24,25)/t3*17-;16-/m0000/s1
• InChIKey: AXANQFDSCMJZCY-GDXCZYHKSA-N
• XLogP: 8.58
• TPSA: 409.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.03
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?

The IUPAC name of 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol (CID 157257275) is 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol.

What is the SMILES notation for 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?

The canonical SMILES for 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol is CCc1cnn2c(NCc3ccc(=O)n(C)c3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cccnc3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3ccnnc3)nc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CCCC[C@H]3CCO)nc12.

What is the InChIKey of 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?

The InChIKey is AXANQFDSCMJZCY-GDXCZYHKSA-N. The full InChI is InChI=1S/C21H29N7O2.C21H28N6O3S.C20H27N7O.C19H26N8O/c1-3-16-13-23-28-19(16)24-21(27-10-5-4-6-17(27)9-11-29)25-20(28)22-12-15-7-8-18(30)26(2)14-15;1-3-15-14-22-27-19(15)24-20(26-12-5-4-6-17(26)11-13-28)25-21(27)23-16-7-9-18(10-8-16)31(2,29)30;1-2-16-14-23-27-18(16)24-20(26-10-4-3-7-17(26)8-11-28)25-19(27)22-13-15-6-5-9-21-12-15;1-2-15-13-23-27-17(15)24-19(26-9-4-3-5-16(26)7-10-28)25-18(27)20-11-14-6-8-21-22-12-14/h7-8,13-14,17,29H,3-6,9-12H2,1-2H3,(H,22,24,25);7-10,14,17,28H,3-6,11-13H2,1-2H3,(H,23,24,25);5-6,9,12,14,17,28H,2-4,7-8,10-11,13H2,1H3,(H,22,24,25);6,8,12-13,16,28H,2-5,7,9-11H2,1H3,(H,20,24,25)/t3*17-;16-/m0000/s1.

What are the key properties of 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?

5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol has a molecular weight of 1620.03 g/mol, XLogP of 8.58, 28 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-1-methylpyridin-2-one;2-[(2S)-1-[8-ethyl-4-(4-methylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridazin-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[8-ethyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 157257275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).