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

C24H18FN7 — CID 137112402

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137112402) has the molecular formula C24H18FN7 and a molecular weight of 423.46 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137112402
• Molecular Formula: C24H18FN7
• Molecular Weight: 423.46 g/mol
• Exact Mass: 423.16
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cncc5[nH]4)c3n2)n1C
• InChI: InChI=1S/C24H18FN7/c1-13-27-12-22(32(13)2)18-7-8-19-23(29-18)24(31-30-19)20-9-16-17(10-26-11-21(16)28-20)14-3-5-15(25)6-4-14/h3-12,28H,1-2H3,(H,30,31)
• InChIKey: OOAXZKPDDKNRGQ-UHFFFAOYSA-N
• XLogP: 5.02
• 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	423.46
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 137112402) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cncc5[nH]4)c3n2)n1C.

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

The InChIKey is OOAXZKPDDKNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7/c1-13-27-12-22(32(13)2)18-7-8-19-23(29-18)24(31-30-19)20-9-16-17(10-26-11-21(16)28-20)14-3-5-15(25)6-4-14/h3-12,28H,1-2H3,(H,30,31).

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 423.46 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137112402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).