5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine

C25H21N7 — CID 145033258

About 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145033258) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145033258
• Molecular Formula: C25H21N7
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.19
• IUPAC Name: 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccc(C)c(-c2cc3c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C25H21N7/c1-14-7-8-15(2)17(9-14)20-10-18-21(11-26-20)30-31-23(18)25-28-19-5-4-6-22(24(19)29-25)32-12-16(3)27-13-32/h4-13H,1-3H3,(H,28,29)(H,30,31)
• InChIKey: OOIYBPJPTLEVJO-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 145033258) is 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine is Cc1ccc(C)c(-c2cc3c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is OOIYBPJPTLEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7/c1-14-7-8-15(2)17(9-14)20-10-18-21(11-26-20)30-31-23(18)25-28-19-5-4-6-22(24(19)29-25)32-12-16(3)27-13-32/h4-13H,1-3H3,(H,28,29)(H,30,31).

What are the key properties of 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 419.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethylphenyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145033258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).