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

C22H20N6O — CID 137111429

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111429) 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-b]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-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137111429
• Molecular Formula: C22H20N6O
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.17
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2ccoc2)c2cc(-c3n[nH]c4cnc(C5CCNCC5)cc34)[nH]c2n1
• InChI: InChI=1S/C22H20N6O/c1-5-23-6-2-13(1)18-10-17-20(11-25-18)27-28-21(17)19-9-16-15(14-4-8-29-12-14)3-7-24-22(16)26-19/h3-4,7-13,23H,1-2,5-6H2,(H,24,26)(H,27,28)
• InChIKey: FAEKHJRVYUIBJR-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-b]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-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (CID 137111429) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]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-b]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-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2ccoc2)c2cc(-c3n[nH]c4cnc(C5CCNCC5)cc34)[nH]c2n1.

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

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

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]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-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).