4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole

C146H92F6N42 — CID 158749966

About 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole

4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole (PubChem CID 158749966) has the molecular formula C146H92F6N42 and a molecular weight of 2548.62 g/mol. Its IUPAC name is 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole.

Molecular Properties

• Compound Name: 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
• PubChem CID: 158749966
• Molecular Formula: C146H92F6N42
• Molecular Weight: 2548.62 g/mol
• Exact Mass: 2546.84
• IUPAC Name: 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
• SMILES: Cc1cccc2c1n1nccc1n2-c1cccc(-n2c3cccc(C)c3n3nccc23)c1.FC(F)(F)c1ccc2c(c1)n1nccc1n2-c1cccc(-n2c3ccc(C(F)(F)F)cc3n3nccc23)c1.[C-]#[N+]c1cccc2c1n(-c1cccc(-n3c4c(C#N)cccc4n4nccc34)c1)c1ccnn21.c1cc(-n2c3ccccc3n3nccc23)cc(-n2c3ccccc3n3nccc23)c1.c1cc(-n2c3cccnc3n3nccc23)cc(-n2c3cccnc3n3nccc23)c1.c1cc(-n2c3ncccc3n3nccc23)cc(-n2c3ncccc3n3nccc23)c1
• InChI: InChI=1S/C26H14F6N6.C26H14N8.C26H20N6.C24H16N6.2C22H14N8/c27-25(28,29)15-4-6-19-21(12-15)37-23(8-10-33-37)35(19)17-2-1-3-18(14-17)36-20-7-5-16(26(30,31)32)13-22(20)38-24(36)9-11-34-38;1-28-20-8-4-10-22-26(20)32(24-12-14-30-34(22)24)19-7-3-6-18(15-19)31-23-11-13-29-33(23)21-9-2-5-17(16-27)25(21)31;1-17-6-3-10-21-25(17)31-23(12-14-27-31)29(21)19-8-5-9-20(16-19)30-22-11-4-7-18(2)26(22)32-24(30)13-15-28-32;1-3-10-21-19(8-1)27(23-12-14-25-29(21)23)17-6-5-7-18(16-17)28-20-9-2-4-11-22(20)30-24(28)13-15-26-30;1-4-15(27-19-8-12-25-29(19)17-6-2-10-23-21(17)27)14-16(5-1)28-20-9-13-26-30(20)18-7-3-11-24-22(18)28;1-4-15(27-17-6-2-10-23-21(17)29-19(27)8-12-25-29)14-16(5-1)28-18-7-3-11-24-22(18)30-20(28)9-13-26-30/h1-14H;2-15H;3-16H,1-2H3;1-16H;2*1-14H
• InChIKey: INITXBHOPVEGHY-UHFFFAOYSA-N
• XLogP: 29.88
• TPSA: 346.47 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 12
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2548.62
LogP ≤ 5	29.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?

The IUPAC name of 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole (CID 158749966) is 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole.

What is the SMILES notation for 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?

The canonical SMILES for 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole is Cc1cccc2c1n1nccc1n2-c1cccc(-n2c3cccc(C)c3n3nccc23)c1.FC(F)(F)c1ccc2c(c1)n1nccc1n2-c1cccc(-n2c3ccc(C(F)(F)F)cc3n3nccc23)c1.[C-]#[N+]c1cccc2c1n(-c1cccc(-n3c4c(C#N)cccc4n4nccc34)c1)c1ccnn21.c1cc(-n2c3ccccc3n3nccc23)cc(-n2c3ccccc3n3nccc23)c1.c1cc(-n2c3cccnc3n3nccc23)cc(-n2c3cccnc3n3nccc23)c1.c1cc(-n2c3ncccc3n3nccc23)cc(-n2c3ncccc3n3nccc23)c1.

What is the InChIKey of 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?

The InChIKey is INITXBHOPVEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N6.C26H14N8.C26H20N6.C24H16N6.2C22H14N8/c27-25(28,29)15-4-6-19-21(12-15)37-23(8-10-33-37)35(19)17-2-1-3-18(14-17)36-20-7-5-16(26(30,31)32)13-22(20)38-24(36)9-11-34-38;1-28-20-8-4-10-22-26(20)32(24-12-14-30-34(22)24)19-7-3-6-18(15-19)31-23-11-13-29-33(23)21-9-2-5-17(16-27)25(21)31;1-17-6-3-10-21-25(17)31-23(12-14-27-31)29(21)19-8-5-9-20(16-19)30-22-11-4-7-18(2)26(22)32-24(30)13-15-28-32;1-3-10-21-19(8-1)27(23-12-14-25-29(21)23)17-6-5-7-18(16-17)28-20-9-2-4-11-22(20)30-24(28)13-15-26-30;1-4-15(27-19-8-12-25-29(19)17-6-2-10-23-21(17)27)14-16(5-1)28-20-9-13-26-30(20)18-7-3-11-24-22(18)28;1-4-15(27-17-6-2-10-23-21(17)29-19(27)8-12-25-29)14-16(5-1)28-18-7-3-11-24-22(18)30-20(28)9-13-26-30/h1-14H;2-15H;3-16H,1-2H3;1-16H;2*1-14H.

What are the key properties of 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?

4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole has a molecular weight of 2548.62 g/mol, XLogP of 29.88, 12 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-isocyanopyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole-5-carbonitrile;8-methyl-4-[3-(8-methylpyrazolo[1,5-a]benzimidazol-4-yl)phenyl]pyrazolo[1,5-a]benzimidazole;4-(3-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)pyrazolo[1,5-a]benzimidazole;7-[3-(2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-[3-(2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-7-yl)phenyl]-2,3,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene;7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 158749966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).