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

C₂₂H₁₇N₇O — CID 137038483

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137038483) has the molecular formula C₂₂H₁₇N₇O and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137038483
• Molecular Formula: C₂₂H₁₇N₇O
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.15
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3n2)n1C
• InChI: InChI=1S/C22H17N7O/c1-12-24-10-19(29(12)2)16-3-4-17-20(25-16)21(28-27-17)18-9-15-14(13-6-8-30-11-13)5-7-23-22(15)26-18/h3-11H,1-2H3,(H,23,26)(H,27,28)
• InChIKey: MBDHGXLZKJTFOB-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	4.47
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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 137038483) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3n2)n1C.

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

The InChIKey is MBDHGXLZKJTFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-12-24-10-19(29(12)2)16-3-4-17-20(25-16)21(28-27-17)18-9-15-14(13-6-8-30-11-13)5-7-23-22(15)26-18/h3-11H,1-2H3,(H,23,26)(H,27,28).

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 395.43 g/mol, XLogP of 4.47, 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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137038483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137038483 — identifiers, structure, computed properties (public domain)

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