3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C147H120F5N35O7S — CID 158066792

About 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 158066792) has the molecular formula C147H120F5N35O7S and a molecular weight of 2615.87 g/mol. Its IUPAC name is 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• PubChem CID: 158066792
• Molecular Formula: C147H120F5N35O7S
• Molecular Weight: 2615.87 g/mol
• Exact Mass: 2613.98
• IUPAC Name: 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• SMILES: CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccccc7F)cccc6[nH]5)c4c3)c2)CC1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccccc7F)cccc6[nH]5)c4c3)c2)CC1.CS(=O)(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1)N1CCOCC1
• InChI: InChI=1S/C32H28FN7O.C31H27FN8O.C30H24FN7O2.C28H22FN7O.C26H19FN6O2S/c1-40-11-9-19(10-12-40)32(41)36-22-13-20(16-34-18-22)21-14-26-30(38-39-31(26)35-17-21)29-15-25-23(6-4-8-28(25)37-29)24-5-2-3-7-27(24)33;1-39-9-11-40(12-10-39)31(41)35-21-13-19(16-33-18-21)20-14-25-29(37-38-30(25)34-17-20)28-15-24-22(6-4-8-27(24)36-28)23-5-2-3-7-26(23)32;31-25-6-2-1-4-22(25)21-5-3-7-26-23(21)14-27(35-26)28-24-13-19(16-33-29(24)37-36-28)18-12-20(17-32-15-18)34-30(39)38-8-10-40-11-9-38;1-36(2)28(37)32-18-10-16(13-30-15-18)17-11-22-26(34-35-27(22)31-14-17)25-12-21-19(7-5-9-24(21)33-25)20-6-3-4-8-23(20)29;1-36(34,35)33-17-9-15(12-28-14-17)16-10-21-25(31-32-26(21)29-13-16)24-11-20-18(6-4-8-23(20)30-24)19-5-2-3-7-22(19)27/h2-8,13-19,37H,9-12H2,1H3,(H,36,41)(H,35,38,39);2-8,13-18,36H,9-12H2,1H3,(H,35,41)(H,34,37,38);1-7,12-17,35H,8-11H2,(H,34,39)(H,33,36,37);3-15,33H,1-2H3,(H,32,37)(H,31,34,35);2-14,30,33H,1H3,(H,29,31,32)
• InChIKey: FLICXKGQWXOGPU-UHFFFAOYSA-N
• XLogP: 29.26
• TPSA: 539.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.87
LogP ≤ 5	29.26
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The IUPAC name of 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 158066792) is 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

What is the SMILES notation for 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The canonical SMILES for 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccccc7F)cccc6[nH]5)c4c3)c2)CC1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccccc7F)cccc6[nH]5)c4c3)c2)CC1.CS(=O)(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1)N1CCOCC1.

What is the InChIKey of 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The InChIKey is FLICXKGQWXOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7O.C31H27FN8O.C30H24FN7O2.C28H22FN7O.C26H19FN6O2S/c1-40-11-9-19(10-12-40)32(41)36-22-13-20(16-34-18-22)21-14-26-30(38-39-31(26)35-17-21)29-15-25-23(6-4-8-28(25)37-29)24-5-2-3-7-27(24)33;1-39-9-11-40(12-10-39)31(41)35-21-13-19(16-33-18-21)20-14-25-29(37-38-30(25)34-17-20)28-15-24-22(6-4-8-27(24)36-28)23-5-2-3-7-26(23)32;31-25-6-2-1-4-22(25)21-5-3-7-26-23(21)14-27(35-26)28-24-13-19(16-33-29(24)37-36-28)18-12-20(17-32-15-18)34-30(39)38-8-10-40-11-9-38;1-36(2)28(37)32-18-10-16(13-30-15-18)17-11-22-26(34-35-27(22)31-14-17)25-12-21-19(7-5-9-24(21)33-25)20-6-3-4-8-23(20)29;1-36(34,35)33-17-9-15(12-28-14-17)16-10-21-25(31-32-26(21)29-13-16)24-11-20-18(6-4-8-23(20)30-24)19-5-2-3-7-22(19)27/h2-8,13-19,37H,9-12H2,1H3,(H,36,41)(H,35,38,39);2-8,13-18,36H,9-12H2,1H3,(H,35,41)(H,34,37,38);1-7,12-17,35H,8-11H2,(H,34,39)(H,33,36,37);3-15,33H,1-2H3,(H,32,37)(H,31,34,35);2-14,30,33H,1H3,(H,29,31,32).

What are the key properties of 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 2615.87 g/mol, XLogP of 29.26, 22 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 158066792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).