3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine

C147H124F4N42O5 — CID 157473276

About 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine

3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine (PubChem CID 157473276) has the molecular formula C147H124F4N42O5 and a molecular weight of 2634.89 g/mol. Its IUPAC name is 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine.

Molecular Properties

• Compound Name: 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine
• PubChem CID: 157473276
• Molecular Formula: C147H124F4N42O5
• Molecular Weight: 2634.89 g/mol
• Exact Mass: 2633.07
• IUPAC Name: 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine
• SMILES: CCC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1-c1ccccc1.Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(C#C[C@@H](C)O)c2c(N)ncnc21.Cc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2CCn1c(N2CCCC2)nc2ccccc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(-c2ccccc2)nc2ccccn12.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12
• InChI: InChI=1S/C26H20FN7O.C26H22N6O.C25H18FN7O.C24H23FN8O.C23H21FN8O.C23H20N6/c1-15-6-2-3-7-19(15)24-20(33-9-5-4-8-21(33)31-24)13-34-26-22(25(28)29-14-30-26)23(32-34)16-10-17(27)12-18(35)11-16;1-16-7-3-5-9-20(16)24-19(13-18-8-4-6-10-21(18)30-24)14-32-26-23(25(27)28-15-29-26)22(31-32)12-11-17(2)33;26-17-10-16(11-18(34)12-17)23-21-24(27)28-14-29-25(21)33(31-23)13-19-22(15-6-2-1-3-7-15)30-20-8-4-5-9-32(19)20;25-16-11-15(12-17(34)13-16)21-20-22(26)27-14-28-23(20)33(30-21)10-9-32-19-6-2-1-5-18(19)29-24(32)31-7-3-4-8-31;24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18;1-2-18(29-23-21-22(25-13-24-21)26-14-27-23)17-12-16-10-6-7-11-19(16)28-20(17)15-8-4-3-5-9-15/h2-12,14,35H,13H2,1H3,(H2,28,29,30);3-10,13,15,17,33H,14H2,1-2H3,(H2,27,28,29);1-12,14,34H,13H2,(H2,27,28,29);1-2,5-6,11-14,34H,3-4,7-10H2,(H2,26,27,28);1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27);3-14,18H,2H2,1H3,(H2,24,25,26,27,29)/t;17-;;;;/m.1..../s1
• InChIKey: BVHFZHZPRPIJQL-IQTGGXRUSA-N
• XLogP: 24.51
• TPSA: 617.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 25
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.89
LogP ≤ 5	24.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine?

The IUPAC name of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine (CID 157473276) is 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine.

What is the SMILES notation for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine?

The canonical SMILES for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine is CCC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1-c1ccccc1.Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(C#C[C@@H](C)O)c2c(N)ncnc21.Cc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2CCn1c(N2CCCC2)nc2ccccc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(-c2ccccc2)nc2ccccn12.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12.

What is the InChIKey of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine?

The InChIKey is BVHFZHZPRPIJQL-IQTGGXRUSA-N. The full InChI is InChI=1S/C26H20FN7O.C26H22N6O.C25H18FN7O.C24H23FN8O.C23H21FN8O.C23H20N6/c1-15-6-2-3-7-19(15)24-20(33-9-5-4-8-21(33)31-24)13-34-26-22(25(28)29-14-30-26)23(32-34)16-10-17(27)12-18(35)11-16;1-16-7-3-5-9-20(16)24-19(13-18-8-4-6-10-21(18)30-24)14-32-26-23(25(27)28-15-29-26)22(31-32)12-11-17(2)33;26-17-10-16(11-18(34)12-17)23-21-24(27)28-14-29-25(21)33(31-23)13-19-22(15-6-2-1-3-7-15)30-20-8-4-5-9-32(19)20;25-16-11-15(12-17(34)13-16)21-20-22(26)27-14-28-23(20)33(30-21)10-9-32-19-6-2-1-5-18(19)29-24(32)31-7-3-4-8-31;24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18;1-2-18(29-23-21-22(25-13-24-21)26-14-27-23)17-12-16-10-6-7-11-19(16)28-20(17)15-8-4-3-5-9-15/h2-12,14,35H,13H2,1H3,(H2,28,29,30);3-10,13,15,17,33H,14H2,1-2H3,(H2,27,28,29);1-12,14,34H,13H2,(H2,27,28,29);1-2,5-6,11-14,34H,3-4,7-10H2,(H2,26,27,28);1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27);3-14,18H,2H2,1H3,(H2,24,25,26,27,29)/t;17-;;;;/m.1..../s1.

What are the key properties of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine?

3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine has a molecular weight of 2634.89 g/mol, XLogP of 24.51, 25 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol;3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;N-[1-(2-phenylquinolin-3-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 157473276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).