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

C22H14N6O — CID 137110825

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

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137110825) has the molecular formula C22H14N6O and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137110825
• Molecular Formula: C22H14N6O
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.12
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1ccc(-c2cc3c(-c4cc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)nc1
• InChI: InChI=1S/C22H14N6O/c1-2-6-23-17(3-1)18-9-15-20(11-25-18)27-28-22(15)19-10-14-16(26-19)4-7-24-21(14)13-5-8-29-12-13/h1-12,26H,(H,27,28)
• InChIKey: FZOIELBDGOMWCW-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine (CID 137110825) is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine is c1ccc(-c2cc3c(-c4cc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)nc1.

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

The InChIKey is FZOIELBDGOMWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O/c1-2-6-23-17(3-1)18-9-15-20(11-25-18)27-28-22(15)19-10-14-16(26-19)4-7-24-21(14)13-5-8-29-12-13/h1-12,26H,(H,27,28).

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

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 378.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137110825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).