2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine

C25H19FN6 — CID 137111808

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137111808) has the molecular formula C25H19FN6 and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 137111808
• Molecular Formula: C25H19FN6
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.17
• IUPAC Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)c3c2)n1C
• InChI: InChI=1S/C25H19FN6/c1-14-28-13-23(32(14)2)16-5-8-21-20(11-16)24(31-30-21)22-12-19-18(9-10-27-25(19)29-22)15-3-6-17(26)7-4-15/h3-13H,1-2H3,(H,27,29)(H,30,31)
• InChIKey: SUIBJSZSHIBOKD-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 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine (CID 137111808) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)c3c2)n1C.

What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?

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

What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]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 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137111808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).