3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea

C137H110ClFN38O5 — CID 159375856

About 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea

3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea (PubChem CID 159375856) has the molecular formula C137H110ClFN38O5 and a molecular weight of 2423.10 g/mol. Its IUPAC name is 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea.

Molecular Properties

• Compound Name: 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
• PubChem CID: 159375856
• Molecular Formula: C137H110ClFN38O5
• Molecular Weight: 2423.10 g/mol
• Exact Mass: 2420.92
• IUPAC Name: 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
• SMILES: CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H22ClN7O.C28H22FN7O.3C27H22N8O/c1-36(2)28(37)32-20-10-17(13-30-15-20)18-11-23-26(34-35-27(23)31-14-18)25-12-22-21(7-4-8-24(22)33-25)16-5-3-6-19(29)9-16;1-36(2)28(37)32-20-10-17(13-30-15-20)18-11-23-26(34-35-27(23)31-14-18)25-12-22-21(4-3-5-24(22)33-25)16-6-8-19(29)9-7-16;1-35(2)27(36)31-19-9-17(13-29-15-19)18-10-22-25(33-34-26(22)30-14-18)24-11-21-20(6-3-7-23(21)32-24)16-5-4-8-28-12-16;1-35(2)27(36)31-18-10-16(13-28-15-18)17-11-21-25(33-34-26(21)30-14-17)24-12-20-19(6-5-8-23(20)32-24)22-7-3-4-9-29-22;1-35(2)27(36)31-19-10-17(13-29-15-19)18-11-22-25(33-34-26(22)30-14-18)24-12-21-20(4-3-5-23(21)32-24)16-6-8-28-9-7-16/h2*3-15,33H,1-2H3,(H,32,37)(H,31,34,35);3*3-15,32H,1-2H3,(H,31,36)(H,30,33,34)
• InChIKey: LKHPWVYQWUDOJH-UHFFFAOYSA-N
• XLogP: 28.62
• TPSA: 551.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.10
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?

The IUPAC name of 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea (CID 159375856) is 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea.

What is the SMILES notation for 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?

The canonical SMILES for 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?

The InChIKey is LKHPWVYQWUDOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN7O.C28H22FN7O.3C27H22N8O/c1-36(2)28(37)32-20-10-17(13-30-15-20)18-11-23-26(34-35-27(23)31-14-18)25-12-22-21(7-4-8-24(22)33-25)16-5-3-6-19(29)9-16;1-36(2)28(37)32-20-10-17(13-30-15-20)18-11-23-26(34-35-27(23)31-14-18)25-12-22-21(4-3-5-24(22)33-25)16-6-8-19(29)9-7-16;1-35(2)27(36)31-19-9-17(13-29-15-19)18-10-22-25(33-34-26(22)30-14-18)24-11-21-20(6-3-7-23(21)32-24)16-5-4-8-28-12-16;1-35(2)27(36)31-18-10-16(13-28-15-18)17-11-21-25(33-34-26(21)30-14-17)24-12-20-19(6-5-8-23(20)32-24)22-7-3-4-9-29-22;1-35(2)27(36)31-19-10-17(13-29-15-19)18-11-22-25(33-34-26(22)30-14-18)24-12-21-20(4-3-5-23(21)32-24)16-6-8-28-9-7-16/h2*3-15,33H,1-2H3,(H,32,37)(H,31,34,35);3*3-15,32H,1-2H3,(H,31,36)(H,30,33,34).

What are the key properties of 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?

3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea has a molecular weight of 2423.10 g/mol, XLogP of 28.62, 20 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[4-(3-chlorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;1,1-dimethyl-3-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea is sourced from PubChem (CID 159375856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).