3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C27H24N8O2 — CID 136947301

About 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136947301) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136947301
• Molecular Formula: C27H24N8O2
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.20
• IUPAC Name: 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)co1
• InChI: InChI=1S/C27H24N8O2/c1-2-5-35(4-1)6-8-37-19-9-18(11-28-12-19)22-10-20-23(15-30-22)33-34-26(20)27-31-24-14-29-13-21(25(24)32-27)17-3-7-36-16-17/h3,7,9-16H,1-2,4-6,8H2,(H,31,32)(H,33,34)
• InChIKey: RGHGQBYSSDUSEH-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 121.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 136947301) is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)co1.

What is the InChIKey of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is RGHGQBYSSDUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2/c1-2-5-35(4-1)6-8-37-19-9-18(11-28-12-19)22-10-20-23(15-30-22)33-34-26(20)27-31-24-14-29-13-21(25(24)32-27)17-3-7-36-16-17/h3,7,9-16H,1-2,4-6,8H2,(H,31,32)(H,33,34).

What are the key properties of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 492.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136947301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).