5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine

C25H19FN6 — CID 137369492

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137369492) has the molecular formula C25H19FN6 and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137369492
• Molecular Formula: C25H19FN6
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.17
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)n1C
• InChI: InChI=1S/C25H19FN6/c1-14-27-13-24(32(14)2)21-11-19-23(12-28-21)30-31-25(19)22-10-18-17(4-3-5-20(18)29-22)15-6-8-16(26)9-7-15/h3-13,29H,1-2H3,(H,30,31)
• InChIKey: PPVQOAZLAALXPZ-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 75.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 137369492) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is Cc1ncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)n1C.

What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is PPVQOAZLAALXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6/c1-14-27-13-24(32(14)2)21-11-19-23(12-28-21)30-31-25(19)22-10-18-17(4-3-5-20(18)29-22)15-6-8-16(26)9-7-15/h3-13,29H,1-2H3,(H,30,31).

What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 422.47 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137369492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).