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

C23H18N8 — CID 137112372

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

5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137112372) has the molecular formula C23H18N8 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137112372
• Molecular Formula: C23H18N8
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.17
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cncc5[nH]4)c3n2)n1C
• InChI: InChI=1S/C23H18N8/c1-13-26-12-21(31(13)2)17-6-7-18-22(28-17)23(30-29-18)19-9-14-15(10-24-11-20(14)27-19)16-5-3-4-8-25-16/h3-12,27H,1-2H3,(H,29,30)
• InChIKey: JHBUOVFGFIHTJA-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137112372) is 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cncc5[nH]4)c3n2)n1C.

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

The InChIKey is JHBUOVFGFIHTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8/c1-13-26-12-21(31(13)2)17-6-7-18-22(28-17)23(30-29-18)19-9-14-15(10-24-11-20(14)27-19)16-5-3-4-8-25-16/h3-12,27H,1-2H3,(H,29,30).

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

5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 406.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).