4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine

C120H82F13N39 — CID 160524032

About 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine

4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine (PubChem CID 160524032) has the molecular formula C120H82F13N39 and a molecular weight of 2317.22 g/mol. Its IUPAC name is 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine
• PubChem CID: 160524032
• Molecular Formula: C120H82F13N39
• Molecular Weight: 2317.22 g/mol
• Exact Mass: 2315.74
• IUPAC Name: 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine
• SMILES: Cc1cc(F)ccc1-n1ncc2c(-c3cncnc3N)ccnc21.Cc1ccc(-n2ncc3c(-c4cncnc4N4CC(F)(F)C4)ccnc32)cc1.Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F.Cc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F.Nc1ncncc1-c1ccnc2c1cnn2-c1c(F)cc(F)cc1F.Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1.Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F
• InChI: InChI=1S/C20H16F2N6.C18H12F2N4.C17H11F2N5.C17H13FN6.C16H9F3N6.C16H10F2N6.C16H11FN6/c1-13-2-4-14(5-3-13)28-19-17(9-26-28)15(6-7-24-19)16-8-23-12-25-18(16)27-10-20(21,22)11-27;1-11-4-6-21-9-14(11)13-5-7-22-18-15(13)10-23-24(18)17-3-2-12(19)8-16(17)20;1-10-13(7-20-9-22-10)12-4-5-21-17-14(12)8-23-24(17)16-3-2-11(18)6-15(16)19;1-10-6-11(18)2-3-15(10)24-17-14(8-23-24)12(4-5-21-17)13-7-20-9-22-16(13)19;17-8-3-12(18)14(13(19)4-8)25-16-11(6-24-25)9(1-2-22-16)10-5-21-7-23-15(10)20;17-9-1-2-14(13(18)5-9)24-16-12(7-23-24)10(3-4-21-16)11-6-20-8-22-15(11)19;17-10-1-3-11(4-2-10)23-16-14(8-22-23)12(5-6-20-16)13-7-19-9-21-15(13)18/h2-9,12H,10-11H2,1H3;2-10H,1H3;2-9H,1H3;2-9H,1H3,(H2,19,20,22);1-7H,(H2,20,21,23);1-8H,(H2,19,20,22);1-9H,(H2,18,19,21)
• InChIKey: QUQSGUWOJDZKHP-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 489.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.22
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine?

The IUPAC name of 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine (CID 160524032) is 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine.

What is the SMILES notation for 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine?

The canonical SMILES for 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine is Cc1cc(F)ccc1-n1ncc2c(-c3cncnc3N)ccnc21.Cc1ccc(-n2ncc3c(-c4cncnc4N4CC(F)(F)C4)ccnc32)cc1.Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F.Cc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F.Nc1ncncc1-c1ccnc2c1cnn2-c1c(F)cc(F)cc1F.Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1.Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F.

What is the InChIKey of 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine?

The InChIKey is QUQSGUWOJDZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6.C18H12F2N4.C17H11F2N5.C17H13FN6.C16H9F3N6.C16H10F2N6.C16H11FN6/c1-13-2-4-14(5-3-13)28-19-17(9-26-28)15(6-7-24-19)16-8-23-12-25-18(16)27-10-20(21,22)11-27;1-11-4-6-21-9-14(11)13-5-7-22-18-15(13)10-23-24(18)17-3-2-12(19)8-16(17)20;1-10-13(7-20-9-22-10)12-4-5-21-17-14(12)8-23-24(17)16-3-2-11(18)6-15(16)19;1-10-6-11(18)2-3-15(10)24-17-14(8-23-24)12(4-5-21-17)13-7-20-9-22-16(13)19;17-8-3-12(18)14(13(19)4-8)25-16-11(6-24-25)9(1-2-22-16)10-5-21-7-23-15(10)20;17-9-1-2-14(13(18)5-9)24-16-12(7-23-24)10(3-4-21-16)11-6-20-8-22-15(11)19;17-10-1-3-11(4-2-10)23-16-14(8-22-23)12(5-6-20-16)13-7-19-9-21-15(13)18/h2-9,12H,10-11H2,1H3;2-10H,1H3;2-9H,1H3;2-9H,1H3,(H2,19,20,22);1-7H,(H2,20,21,23);1-8H,(H2,19,20,22);1-9H,(H2,18,19,21).

What are the key properties of 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine?

4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine has a molecular weight of 2317.22 g/mol, XLogP of 22.30, 15 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine;1-(2,4-difluorophenyl)-4-(4-methylpyrimidin-5-yl)pyrazolo[3,4-b]pyridine;5-[1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluoro-2-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine;5-[1-(2,4,6-trifluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 160524032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).