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

C22H20N6O — CID 137115850

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137115850) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137115850
• Molecular Formula: C22H20N6O
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.17
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)cc23)co1
• InChI: InChI=1S/C22H20N6O/c1-4-23-5-2-13(1)18-8-16-21(11-25-18)27-28-22(16)19-7-15-17(14-3-6-29-12-14)9-24-10-20(15)26-19/h3,6-13,23,26H,1-2,4-5H2,(H,27,28)
• InChIKey: VPSNXYITOWNTEL-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 95.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (CID 137115850) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)cc23)co1.

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

The InChIKey is VPSNXYITOWNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-4-23-5-2-13(1)18-8-16-21(11-25-18)27-28-22(16)19-7-15-17(14-3-6-29-12-14)9-24-10-20(15)26-19/h3,6-13,23,26H,1-2,4-5H2,(H,27,28).

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 384.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137115850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).