2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol

C118H137FN42O6 — CID 159456236

About 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol

2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol (PubChem CID 159456236) has the molecular formula C118H137FN42O6 and a molecular weight of 2258.68 g/mol. Its IUPAC name is 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol
• PubChem CID: 159456236
• Molecular Formula: C118H137FN42O6
• Molecular Weight: 2258.68 g/mol
• Exact Mass: 2257.17
• IUPAC Name: 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol
• SMILES: CN(c1ncc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3ncc(F)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CCC12CCN(c1ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn1)CC2.CN[C@H]1CCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.N[C@@H]1CN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC12CC2.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC3(CNC3)C2)nn1
• InChI: InChI=1S/C23H28FN7O.C22H29N7O.C20H23N7O.2C18H19N7O.C17H19N7O/c1-22(2)9-16(10-23(3,4)30-22)31(5)21-27-13-18(28-29-21)17-7-6-14(8-19(17)32)20-25-11-15(24)12-26-20;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;1-26-7-4-20(26)5-8-27(9-6-20)19-21-13-17(24-25-19)16-3-2-14(10-18(16)28)15-11-22-23-12-15;26-16-5-12(13-6-21-22-7-13)1-2-14(16)15-8-20-17(24-23-15)25-4-3-18(11-25)9-19-10-18;19-16-9-25(10-18(16)3-4-18)17-20-8-14(23-24-17)13-2-1-11(5-15(13)26)12-6-21-22-7-12;1-18-13-4-5-24(10-13)17-19-9-15(22-23-17)14-3-2-11(6-16(14)25)12-7-20-21-8-12/h6-8,11-13,16,30,32H,9-10H2,1-5H3;6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,24,25);2-3,10-13,28H,4-9H2,1H3,(H,22,23);1-2,5-8,19,26H,3-4,9-11H2,(H,21,22);1-2,5-8,16,26H,3-4,9-10,19H2,(H,21,22);2-3,6-9,13,18,25H,4-5,10H2,1H3,(H,20,21)/t;;;;16-;13-/m....10/s1
• InChIKey: LTZWFGFKTDXURZ-HTRKFTOYSA-N
• XLogP: 13.70
• TPSA: 619.40 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2258.68
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol?

The IUPAC name of 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol (CID 159456236) is 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol.

What is the SMILES notation for 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol?

The canonical SMILES for 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol is CN(c1ncc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ncc(-c2ccc(-c3ncc(F)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CCC12CCN(c1ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn1)CC2.CN[C@H]1CCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.N[C@@H]1CN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC12CC2.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC3(CNC3)C2)nn1.

What is the InChIKey of 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol?

The InChIKey is LTZWFGFKTDXURZ-HTRKFTOYSA-N. The full InChI is InChI=1S/C23H28FN7O.C22H29N7O.C20H23N7O.2C18H19N7O.C17H19N7O/c1-22(2)9-16(10-23(3,4)30-22)31(5)21-27-13-18(28-29-21)17-7-6-14(8-19(17)32)20-25-11-15(24)12-26-20;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;1-26-7-4-20(26)5-8-27(9-6-20)19-21-13-17(24-25-19)16-3-2-14(10-18(16)28)15-11-22-23-12-15;26-16-5-12(13-6-21-22-7-13)1-2-14(16)15-8-20-17(24-23-15)25-4-3-18(11-25)9-19-10-18;19-16-9-25(10-18(16)3-4-18)17-20-8-14(23-24-17)13-2-1-11(5-15(13)26)12-6-21-22-7-12;1-18-13-4-5-24(10-13)17-19-9-15(22-23-17)14-3-2-11(6-16(14)25)12-7-20-21-8-12/h6-8,11-13,16,30,32H,9-10H2,1-5H3;6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,24,25);2-3,10-13,28H,4-9H2,1H3,(H,22,23);1-2,5-8,19,26H,3-4,9-11H2,(H,21,22);1-2,5-8,16,26H,3-4,9-10,19H2,(H,21,22);2-3,6-9,13,18,25H,4-5,10H2,1H3,(H,20,21)/t;;;;16-;13-/m....10/s1.

What are the key properties of 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol?

2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol has a molecular weight of 2258.68 g/mol, XLogP of 13.70, 21 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(1-methyl-1,7-diazaspiro[3.5]nonan-7-yl)-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-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 159456236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).